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

Systemtic Name: 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]urea Openeye Name: 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]urea CAS Name: 1-[1-(cyclohexylmethyl)-3-pyrrolidinyl]-3-[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-2-nitrophenyl]urea IUPAC Name: 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea Traditional Name: 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitro-phenyl]urea Formula: C28H34N6O6 MolecularWeight: 550.60616

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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(C4)CC5CCCCC5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC(=C(C=C3)NC(=O)NC4CCN(C4)CC5CCCCC5)[N+](=O)[O-])OC

InChI

InChI=1S/C28H34N6O6/c1-38-25-13-21-23(14-26(25)39-2)29-17-30-27(21)40-20-8-9-22(24(12-20)34(36)37)32-28(35)31-19-10-11-33(16-19)15-18-6-4-3-5-7-18/h8-9,12-14,17-19H,3-7,10-11,15-16H2,1-2H3,(H2,31,32,35)