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

Systemtic Name: 3,3-dimethyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]butanamide CAS Name: 3,3-dimethyl-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]butanamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butyramide Formula: C28H38N6O3 MolecularWeight: 506.63972

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H38N6O3/c1-28(2,3)20-25(35)31-23-19-22(27(37)34-15-11-30-12-16-34)5-6-24(23)32-13-4-14-33(18-17-32)26(36)21-7-9-29-10-8-21/h5-10,19,30H,4,11-18,20H2,1-3H3,(H,31,35)