(E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O2/c1-26-16-11-8-15(9-12-16)10-13-20(25)24-14-4-7-19(24)21-22-17-5-2-3-6-18(17)23-21/h2-3,5-6,8-13,19H,4,7,14H2,1H3,(H,22,23)/b13-10+/t19-/m0/s1