(E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(o-tolyl)prop-2-en-1-one CAS Name: (E)-1-[2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(2-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(o-tolyl)prop-2-en-1-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCCC2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O/c1-15-7-2-3-8-16(15)12-13-20(25)24-14-6-11-19(24)21-22-17-9-4-5-10-18(17)23-21/h2-5,7-10,12-13,19H,6,11,14H2,1H3,(H,22,23)/b13-12+