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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-17-5-7-19(8-6-17)16-22-11-13-23(14-12-22)21(25)10-9-18-3-2-4-20(15-18)24(26)27/h2-10,15H,11-14,16H2,1H3/b10-9+