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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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