(3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide

Systemtic Name: (3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide Openeye Name: (3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide CAS Name: (3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide Traditional Name: (3S)-N-(2-ethylphenyl)-3-[4-(4-methoxyphenyl)piperazino]piperidine-1-carboxamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H34N4O2/c1-3-20-7-4-5-9-24(20)26-25(30)29-14-6-8-22(19-29)28-17-15-27(16-18-28)21-10-12-23(31-2)13-11-21/h4-5,7,9-13,22H,3,6,8,14-19H2,1-2H3,(H,26,30)/t22-/m0/s1