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

Systemtic Name: N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C30H31ClFN5O3 MolecularWeight: 564.050243

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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)F

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)F

InChI

InChI=1S/C30H31ClFN5O3/c31-24-6-1-5-22(18-24)29(39)36-13-3-12-35(16-17-36)27-9-8-23(30(40)37-14-10-33-11-15-37)20-26(27)34-28(38)21-4-2-7-25(32)19-21/h1-2,4-9,18-20,33H,3,10-17H2,(H,34,38)