N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: N-[2-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C30H32ClN5O3 MolecularWeight: 546.05978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32ClN5O3/c31-25-9-4-8-23(20-25)29(38)35-15-5-14-34(18-19-35)27-11-10-24(30(39)36-16-12-32-13-17-36)21-26(27)33-28(37)22-6-2-1-3-7-22/h1-4,6-11,20-21,32H,5,12-19H2,(H,33,37)