N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]propanamide dihydrochloride

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]propanamide dihydrochloride Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide dihydrochloride CAS Name: N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]propanamide dihydrochloride IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide dihydrochloride Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-N-(2-chlorobenzyl)-3-(1H-indol-3-yl)propionamide dihydrochloride Formula: C31H36Cl3N5O2 MolecularWeight: 617.00884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5Cl.Cl.Cl

InChI

InChI=1S/C31H34ClN5O2.2ClH/c32-27-12-6-4-10-24(27)19-34-31(39)29(18-25-20-33-28-13-7-5-11-26(25)28)35-30(38)22-37-16-14-36(15-17-37)21-23-8-2-1-3-9-23;;/h1-13,20,29,33H,14-19,21-22H2,(H,34,39)(H,35,38);2*1H