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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-26-19-11-5-2-7-15(19)12-13-20(25)24-14-6-10-18(24)21-22-16-8-3-4-9-17(16)23-21/h2-5,7-9,11-13,18H,6,10,14H2,1H3,(H,22,23)/b13-12+/t18-/m0/s1