(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(4-benzyloxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(4-benzoxyphenyl)prop-2-en-1-one Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c31-27(29-20-16-25(17-21-29)28(32)30-18-6-1-2-7-19-30)15-12-23-10-13-26(14-11-23)33-22-24-8-4-3-5-9-24/h3-5,8-15,25H,1-2,6-7,16-22H2/b15-12+