butyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C26H31N5O5 MolecularWeight: 493.55484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C26H31N5O5/c1-4-5-14-36-25(32)18-6-8-19(9-7-18)29-26(33)31-12-10-30(11-13-31)24-20-15-22(34-2)23(35-3)16-21(20)27-17-28-24/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,29,33)