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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(3-phenoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(3-phenoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(3-phenoxyphenyl)prop-2-en-1-one Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3/c30-26(14-13-22-9-8-12-25(21-22)32-24-10-4-3-5-11-24)28-19-15-23(16-20-28)27(31)29-17-6-1-2-7-18-29/h3-5,8-14,21,23H,1-2,6-7,15-20H2/b14-13+