1-[3,5-dimethyl-4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-isopropylanilino)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone CAS Name: 1-[3,5-dimethyl-4-[oxo-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methyl]-1H-pyrrol-2-yl]ethanone IUPAC Name: 1-[3,5-dimethyl-4-[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone Traditional Name: 1-[4-[(3S)-3-cumidinopiperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCCC(C2)NC3=CC=C(C=C3)C(C)C)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C)C)C(=O)C

InChI

InChI=1S/C23H31N3O2/c1-14(2)18-8-10-19(11-9-18)25-20-7-6-12-26(13-20)23(28)21-15(3)22(17(5)27)24-16(21)4/h8-11,14,20,24-25H,6-7,12-13H2,1-5H3/t20-/m0/s1