N-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C25H25N3O6S/c1-33-20-14-17-10-12-27(24(22-4-3-13-35-22)19(17)15-21(20)34-2)23(29)9-11-26-25(30)16-5-7-18(8-6-16)28(31)32/h3-8,13-15,24H,9-12H2,1-2H3,(H,26,30)