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

Systemtic Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c29-24(23-6-3-15-32-23)26-13-11-25(12-14-26)20-7-8-21(28(30)31)22(16-20)27-10-9-18-4-1-2-5-19(18)17-27/h1-8,15-16H,9-14,17H2