[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone

Systemtic Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone CAS Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]-(4-ethoxyphenyl)methanone IUPAC Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]-p-phenetyl-methanone Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N4O4/c1-2-36-25-10-7-22(8-11-25)28(33)30-17-15-29(16-18-30)24-9-12-26(32(34)35)27(19-24)31-14-13-21-5-3-4-6-23(21)20-31/h3-12,19H,2,13-18,20H2,1H3