1,3-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]methyl]urea

Systemtic Name: 1,3-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]methyl]urea Openeye Name: 1,3-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]methyl]urea CAS Name: 1,3-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]methyl]urea IUPAC Name: 1,3-bis[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]methyl]urea Traditional Name: 1,3-bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzyl]urea Formula: C33H32N6O5 MolecularWeight: 592.64438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CNC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CNC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C33H32N6O5/c40-33(34-19-27-17-29(38(41)42)9-11-31(27)36-15-13-23-5-1-3-7-25(23)21-36)35-20-28-18-30(39(43)44)10-12-32(28)37-16-14-24-6-2-4-8-26(24)22-37/h1-12,17-18H,13-16,19-22H2,(H2,34,35,40)