(3S)-1-(4-methyl-3-pyrrol-1-yl-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methyl-3-pyrrol-1-yl-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methyl-3-pyrrol-1-yl-benzoyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methyl-3-pyrrol-1-ylbenzoyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-methyl-3-pyrrol-1-yl-benzoyl)-N-phenyl-nipecotamide Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H25N3O2/c1-18-11-12-19(16-22(18)26-13-5-6-14-26)24(29)27-15-7-8-20(17-27)23(28)25-21-9-3-2-4-10-21/h2-6,9-14,16,20H,7-8,15,17H2,1H3,(H,25,28)/t20-/m0/s1