3-chloranyl-N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-chloro-N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H29ClN6O3 MolecularWeight: 557.04266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H29ClN6O3/c31-25-3-1-2-23(18-25)28(38)34-26-19-24(30(40)36-12-10-33-11-13-36)8-9-27(26)35-14-16-37(17-15-35)29(39)22-6-4-21(20-32)5-7-22/h1-9,18-19,33H,10-17H2,(H,34,38)