4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[[(phenylmethyl)amino]methyl]phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[[(phenylmethyl)amino]methyl]phenyl]piperazine-1-carboxamide Openeye Name: N-[4-[(benzylamino)methyl]phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-[[(phenylmethyl)amino]methyl]phenyl]-1-piperazinecarboxamide IUPAC Name: N-[4-[(benzylamino)methyl]phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-[4-[(benzylamino)methyl]phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C29H32N6O3 MolecularWeight: 512.60278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)CNCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)CNCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H32N6O3/c1-37-26-16-24-25(17-27(26)38-2)31-20-32-28(24)34-12-14-35(15-13-34)29(36)33-23-10-8-22(9-11-23)19-30-18-21-6-4-3-5-7-21/h3-11,16-17,20,30H,12-15,18-19H2,1-2H3,(H,33,36)