1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitro-phenyl]-3-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitro-phenyl]-3-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-nitro-phenyl]urea CAS Name: 1-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-nitrophenyl]-3-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-nitro-phenyl]urea Formula: C30H31N5O6 MolecularWeight: 557.59704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O6/c1-39-28-17-23-25(18-29(28)40-2)31-13-10-27(23)41-22-8-9-24(26(16-22)35(37)38)33-30(36)32-21-11-14-34(15-12-21)19-20-6-4-3-5-7-20/h3-10,13,16-18,21H,11-12,14-15,19H2,1-2H3,(H2,32,33,36)