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

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]nicotinamide Formula: C29H31FN6O3 MolecularWeight: 530.593243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31FN6O3/c30-24-7-4-21(5-8-24)28(38)35-14-2-13-34(17-18-35)26-9-6-22(29(39)36-15-11-31-12-16-36)19-25(26)33-27(37)23-3-1-10-32-20-23/h1,3-10,19-20,31H,2,11-18H2,(H,33,37)