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

Systemtic Name: 3,3-dimethyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]butanamide CAS Name: 3,3-dimethyl-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]butanamide Traditional Name: 3,3-dimethyl-N-[2-(4-nicotinoylpiperazino)-5-(piperazine-1-carbonyl)phenyl]butyramide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H36N6O3/c1-27(2,3)18-24(34)30-22-17-20(25(35)32-11-9-28-10-12-32)6-7-23(22)31-13-15-33(16-14-31)26(36)21-5-4-8-29-19-21/h4-8,17,19,28H,9-16,18H2,1-3H3,(H,30,34)