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

Systemtic Name: 3,3-dimethyl-N-[2-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]butanamide Openeye Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-[oxo(1-piperazinyl)methyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethylbutanamide Traditional Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butyramide Formula: C29H39N5O3 MolecularWeight: 505.65166

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O3/c1-29(2,3)21-26(35)31-24-20-23(28(37)34-16-12-30-13-17-34)10-11-25(24)32-14-7-15-33(19-18-32)27(36)22-8-5-4-6-9-22/h4-6,8-11,20,30H,7,12-19,21H2,1-3H3,(H,31,35)