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

Systemtic Name: 3-chloranyl-N-[2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-chloro-N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-chloro-N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C31H31ClN6O3 MolecularWeight: 571.06924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31ClN6O3/c32-26-4-1-3-24(19-26)29(39)35-27-20-25(31(41)38-15-11-34-12-16-38)9-10-28(27)36-13-2-14-37(18-17-36)30(40)23-7-5-22(21-33)6-8-23/h1,3-10,19-20,34H,2,11-18H2,(H,35,39)