(Z)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-[4-(2-methoxy-5-methyl-benzyl)piperazino]-3-(3-nitrophenyl)acrylonitrile Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)/C(=C\C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-17-6-7-22(29-2)19(14-17)16-24-10-12-25(13-11-24)21(8-9-23)18-4-3-5-20(15-18)26(27)28/h3-8,14-15H,10-13,16H2,1-2H3/b21-8-