(E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]-3-phenyl-prop-2-en-1-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O3/c33-28(13-10-22-6-2-1-3-7-22)30-18-16-29(17-19-30)25-11-12-26(32(34)35)27(20-25)31-15-14-23-8-4-5-9-24(23)21-31/h1-13,20H,14-19,21H2/b13-10+