4-oxidanylidene-N-[3-[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]propyl]-1H-quinazoline-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-[(phenylmethyl)-quinolin-2-ylcarbonyl-amino]propyl]-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl(quinoline-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: 4-oxo-N-[3-[[oxo(2-quinolinyl)methyl]-(phenylmethyl)amino]propyl]-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl(quinoline-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl(quinaldoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C29H25N5O3 MolecularWeight: 491.5405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N5O3/c35-27-22-12-5-7-14-24(22)32-26(33-27)28(36)30-17-8-18-34(19-20-9-2-1-3-10-20)29(37)25-16-15-21-11-4-6-13-23(21)31-25/h1-7,9-16H,8,17-19H2,(H,30,36)(H,32,33,35)