3-(6,7-dimethoxyquinazolin-4-yl)oxy-1-(2-nitrophenyl)-1-(3-piperidin-1-ylpropyl)urea

Systemtic Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-1-(2-nitrophenyl)-1-(3-piperidin-1-ylpropyl)urea Openeye Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-1-(2-nitrophenyl)-1-[3-(1-piperidyl)propyl]urea CAS Name: 3-[(6,7-dimethoxy-4-quinazolinyl)oxy]-1-(2-nitrophenyl)-1-[3-(1-piperidinyl)propyl]urea IUPAC Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-1-(2-nitrophenyl)-1-(3-piperidin-1-ylpropyl)urea Traditional Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-1-(2-nitrophenyl)-1-(3-piperidinopropyl)urea Formula: C25H30N6O6 MolecularWeight: 510.5423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)ONC(=O)N(CCCN3CCCCC3)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)ONC(=O)N(CCCN3CCCCC3)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C25H30N6O6/c1-35-22-15-18-19(16-23(22)36-2)26-17-27-24(18)37-28-25(32)30(14-8-13-29-11-6-3-7-12-29)20-9-4-5-10-21(20)31(33)34/h4-5,9-10,15-17H,3,6-8,11-14H2,1-2H3,(H,28,32)