4-[4-[2-(4-methoxyphenyl)ethylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-[2-(4-methoxyphenyl)ethylamino]piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-[2-(4-methoxyphenyl)ethylamino]-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-[2-(4-methoxyphenyl)ethylamino]-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-[2-(4-methoxyphenyl)ethylamino]piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-4-[4-[2-(4-methoxyphenyl)ethylamino]piperidino]benzamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C27H36N4O3/c1-34-24-11-5-20(6-12-24)13-17-28-22-14-18-31(19-15-22)23-9-7-21(8-10-23)26(32)30-25-4-2-3-16-29-27(25)33/h5-12,22,25,28H,2-4,13-19H2,1H3,(H,29,33)(H,30,32)/t25-/m0/s1