N-[2-benzamido-6-[[(4-bromophenyl)-ethyl-amino]methyl]quinazolin-4-yl]benzamide

Systemtic Name: N-[2-benzamido-6-[[(4-bromophenyl)-ethyl-amino]methyl]quinazolin-4-yl]benzamide Openeye Name: N-[2-benzamido-6-[(4-bromo-N-ethyl-anilino)methyl]quinazolin-4-yl]benzamide CAS Name: N-[2-benzamido-6-[(4-bromo-N-ethylanilino)methyl]-4-quinazolinyl]benzamide IUPAC Name: N-[2-benzamido-6-[(4-bromo-N-ethylanilino)methyl]quinazolin-4-yl]benzamide Traditional Name: N-[2-benzamido-6-[(4-bromo-N-ethyl-anilino)methyl]quinazolin-4-yl]benzamide Formula: C31H26BrN5O2 MolecularWeight: 580.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)N=C(N=C2NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)N=C(N=C2NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H26BrN5O2/c1-2-37(25-16-14-24(32)15-17-25)20-21-13-18-27-26(19-21)28(34-29(38)22-9-5-3-6-10-22)35-31(33-27)36-30(39)23-11-7-4-8-12-23/h3-19H,2,20H2,1H3,(H2,33,34,35,36,38,39)