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

Systemtic Name: N-[2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethylbutanamide Traditional Name: N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butyramide Formula: C29H38FN5O3 MolecularWeight: 523.642123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H38FN5O3/c1-29(2,3)20-26(36)32-24-19-22(28(38)35-14-10-31-11-15-35)8-9-25(24)33-12-5-13-34(17-16-33)27(37)21-6-4-7-23(30)18-21/h4,6-9,18-19,31H,5,10-17,20H2,1-3H3,(H,32,36)