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

Systemtic Name: 4-cyano-N-[2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C31H31FN6O3 MolecularWeight: 554.614643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31FN6O3/c32-26-4-1-3-24(19-26)30(40)37-14-2-13-36(17-18-37)28-10-9-25(31(41)38-15-11-34-12-16-38)20-27(28)35-29(39)23-7-5-22(21-33)6-8-23/h1,3-10,19-20,34H,2,11-18H2,(H,35,39)