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

Systemtic Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]-3-[4-(phenylmethyl)piperidin-1-yl]urea Openeye Name: 1-(4-benzyl-1-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-[4-(phenylmethyl)-1-piperidinyl]urea IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea Traditional Name: 1-(4-benzylpiperidino)-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)NN4CCC(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)NN4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-])OC

InChI

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