1-[(2-cyanophenyl)methyl]-2,4-bis(oxidanylidene)-N-(phenylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: 1-[(2-cyanophenyl)methyl]-2,4-bis(oxidanylidene)-N-(phenylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-benzyl-1-[(2-cyanophenyl)methyl]-2,4-dioxo-quinazoline-7-carboxamide CAS Name: 1-[(2-cyanophenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: N-benzyl-1-[(2-cyanophenyl)methyl]-2,4-dioxo-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-N-benzyl-1-(2-cyanobenzyl)-2,4-diketo-quinazoline-7-carboxamide Formula: C27H22N4O3 MolecularWeight: 450.48858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4C#N

InChI

InChI=1S/C27H22N4O3/c1-2-14-30-26(33)23-13-12-20(25(32)29-17-19-8-4-3-5-9-19)15-24(23)31(27(30)34)18-22-11-7-6-10-21(22)16-28/h2-13,15H,1,14,17-18H2,(H,29,32)