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

Systemtic Name: 2,3-dimethyl-4-(2-phenylpyrrol-2-yl)-3-piperidin-4-yl-isoindol-1-one Openeye Name: 2,3-dimethyl-4-(2-phenylpyrrol-2-yl)-3-(4-piperidyl)isoindolin-1-one CAS Name: 2,3-dimethyl-4-(2-phenyl-2-pyrrolyl)-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2,3-dimethyl-4-(2-phenylpyrrol-2-yl)-3-piperidin-4-ylisoindol-1-one Traditional Name: 2,3-dimethyl-4-(2-phenylpyrrol-2-yl)-3-(4-piperidyl)isoindolin-1-one Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2C3(C=CC=N3)C4=CC=CC=C4)C(=O)N1C)C5CCNCC5

Isomeric SMILES

CC1(C2=C(C=CC=C2C3(C=CC=N3)C4=CC=CC=C4)C(=O)N1C)C5CCNCC5

InChI

InChI=1S/C25H27N3O/c1-24(18-12-16-26-17-13-18)22-20(23(29)28(24)2)10-6-11-21(22)25(14-7-15-27-25)19-8-4-3-5-9-19/h3-11,14-15,18,26H,12-13,16-17H2,1-2H3