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

Systemtic Name: 3,3-dimethyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]butanamide CAS Name: 3,3-dimethyl-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]butanamide Traditional Name: 3,3-dimethyl-N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H38N6O3/c1-28(2,3)19-25(35)31-23-18-21(26(36)34-14-10-29-11-15-34)7-8-24(23)32-12-5-13-33(17-16-32)27(37)22-6-4-9-30-20-22/h4,6-9,18,20,29H,5,10-17,19H2,1-3H3,(H,31,35)