3-(2-methyl-4-piperidin-1-yl-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-(2-methyl-4-piperidin-1-yl-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[2-methyl-4-(1-piperidyl)phenyl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[2-methyl-4-(1-piperidinyl)phenyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(2-methyl-4-piperidin-1-ylphenyl)-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(2-methyl-4-piperidino-phenyl)-2-(3-nitrophenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O2/c1-16-12-20(23-10-3-2-4-11-23)9-8-17(16)13-19(15-22)18-6-5-7-21(14-18)24(25)26/h5-9,12-14H,2-4,10-11H2,1H3