3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[3-(4-nitrophenyl)prop-2-enoylamino]-6-oxidanylidene-hexyl]propanamide

Systemtic Name: 3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[3-(4-nitrophenyl)prop-2-enoylamino]-6-oxidanylidene-hexyl]propanamide Openeye Name: 3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[3-(4-nitrophenyl)prop-2-enoylamino]-6-oxo-hexyl]propanamide CAS Name: 3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-6-oxohexyl]propanamide IUPAC Name: 3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[3-(4-nitrophenyl)prop-2-enoylamino]-6-oxohexyl]propanamide Traditional Name: 3-cyclopentyl-N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-5-[[3-(4-nitrophenyl)acryloyl]amino]hexyl]propionamide Formula: C34H44N4O7 MolecularWeight: 620.73576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)CCC3CCCC3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)CCC3CCCC3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C34H44N4O7/c1-44-30-21-26-18-20-37(23-27(26)22-31(30)45-2)34(41)29(9-5-6-19-35-32(39)16-12-24-7-3-4-8-24)36-33(40)17-13-25-10-14-28(15-11-25)38(42)43/h10-11,13-15,17,21-22,24,29H,3-9,12,16,18-20,23H2,1-2H3,(H,35,39)(H,36,40)