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

Systemtic Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]-3-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]urea CAS Name: 1-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-2-nitrophenyl]-3-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]urea Formula: C29H30N6O6 MolecularWeight: 558.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC(=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC(=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H30N6O6/c1-39-26-15-22-24(16-27(26)40-2)30-18-31-28(22)41-21-8-9-23(25(14-21)35(37)38)33-29(36)32-20-10-12-34(13-11-20)17-19-6-4-3-5-7-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H2,32,33,36)