N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(2-morpholin-4-ylethyl)ethanamide

Systemtic Name: N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-propyl]amino]-2-oxo-ethyl]-N-(2-morpholinoethyl)-2-[4-(o-tolylcarbamoylamino)phenyl]acetamide CAS Name: N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-3-oxopropyl]amino]-2-oxoethyl]-2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl]amino]-2-oxoethyl]-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazino]-3-keto-propyl]amino]-2-keto-ethyl]-N-(2-morpholinoethyl)-2-[4-(o-tolylcarbamoylamino)phenyl]acetamide Formula: C41H55N7O8 MolecularWeight: 773.9175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(CCN3CCOCC3)CC(=O)NC(CC(=O)N4CCN(CC4)CCO)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N(CCN3CCOCC3)CC(=O)N[C@@H](CC(=O)N4CCN(CC4)CCO)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C41H55N7O8/c1-30-6-4-5-7-34(30)44-41(53)42-33-11-8-31(9-12-33)26-39(51)48(19-16-46-21-24-56-25-22-46)29-38(50)43-35(32-10-13-36(54-2)37(27-32)55-3)28-40(52)47-17-14-45(15-18-47)20-23-49/h4-13,27,35,49H,14-26,28-29H2,1-3H3,(H,43,50)(H2,42,44,53)/t35-/m0/s1