(E)-2-(3-methylphenyl)carbonyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-[4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-m-toluoyl-3-(4-pyrrolidinophenyl)acrylonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=C(C=C2)N3CCCC3)/C#N

InChI

InChI=1S/C21H20N2O/c1-16-5-4-6-18(13-16)21(24)19(15-22)14-17-7-9-20(10-8-17)23-11-2-3-12-23/h4-10,13-14H,2-3,11-12H2,1H3/b19-14+