N-(4-azanylcyclohexyl)-3-[(3-methoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-anisoylamino)-4-(4-nicotinoylpiperazino)benzamide Formula: C31H36N6O4 MolecularWeight: 556.65534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H36N6O4/c1-41-26-6-2-4-21(18-26)30(39)35-27-19-22(29(38)34-25-10-8-24(32)9-11-25)7-12-28(27)36-14-16-37(17-15-36)31(40)23-5-3-13-33-20-23/h2-7,12-13,18-20,24-25H,8-11,14-17,32H2,1H3,(H,34,38)(H,35,39)