N-(4-azanylcyclohexyl)-N-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]benzyl]cyclopropanecarboxamide Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCC5=CC=CC=C5C4)[N+](=O)[O-])C6CCC(CC6)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCC5=CC=CC=C5C4)[N+](=O)[O-])C6CCC(CC6)N

InChI

InChI=1S/C32H36N4O3/c33-28-11-13-29(14-12-28)35(32(37)24-8-9-24)20-22-4-3-7-25(18-22)26-10-15-30(31(19-26)36(38)39)34-17-16-23-5-1-2-6-27(23)21-34/h1-7,10,15,18-19,24,28-29H,8-9,11-14,16-17,20-21,33H2