(E)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(2-nitrophenyl)-1-[4-(o-tolylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methylbenzyl)piperazino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-17-6-2-3-8-19(17)16-22-12-14-23(15-13-22)21(25)11-10-18-7-4-5-9-20(18)24(26)27/h2-11H,12-16H2,1H3/b11-10+