1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-4-(4-phenylphenyl)butane-1,4-dione CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-(4-phenylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-4-(4-phenylphenyl)butane-1,4-dione Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c31-26(24-12-10-23(11-13-24)22-8-4-3-5-9-22)14-15-27(32)29-20-16-25(17-21-29)28(33)30-18-6-1-2-7-19-30/h3-5,8-13,25H,1-2,6-7,14-21H2