4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-yl-isoindol-1-one Openeye Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 4-(2-butyl-2-pyrrolyl)-2,3-dimethyl-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=N1)C2=CC=CC3=C2C(N(C3=O)C)(C)C4CCNCC4

Isomeric SMILES

CCCCC1(C=CC=N1)C2=CC=CC3=C2C(N(C3=O)C)(C)C4CCNCC4

InChI

InChI=1S/C23H31N3O/c1-4-5-12-23(13-7-14-25-23)19-9-6-8-18-20(19)22(2,26(3)21(18)27)17-10-15-24-16-11-17/h6-9,13-14,17,24H,4-5,10-12,15-16H2,1-3H3