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

Systemtic Name: 3-chloranyl-N-[2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-chloro-N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-chloro-N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]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)F)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(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)Cl

InChI

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