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

Systemtic Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-(o-tolyl)prop-2-en-1-one CAS Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-(2-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidino]-3-(o-tolyl)prop-2-en-1-one Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N3O/c1-16-7-2-3-8-17(16)12-13-21(26)25-14-6-9-18(15-25)22-23-19-10-4-5-11-20(19)24-22/h2-5,7-8,10-13,18H,6,9,14-15H2,1H3,(H,23,24)/b13-12+