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

Systemtic Name: N-[2-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-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=C(C=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=C(C=C5)F

InChI

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