(E)-N-[4-[[1-(phenylmethyl)indol-5-yl]amino]quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-N-[4-[[1-(phenylmethyl)indol-5-yl]amino]quinazolin-6-yl]but-2-enamide Openeye Name: (E)-N-[4-[(1-benzylindol-5-yl)amino]quinazolin-6-yl]but-2-enamide CAS Name: (E)-N-[4-[[1-(phenylmethyl)-5-indolyl]amino]-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-N-[4-[(1-benzylindol-5-yl)amino]quinazolin-6-yl]but-2-enamide Traditional Name: (E)-N-[4-[(1-benzylindol-5-yl)amino]quinazolin-6-yl]but-2-enamide Formula: C27H23N5O MolecularWeight: 433.50442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O/c1-2-6-26(33)30-22-9-11-24-23(16-22)27(29-18-28-24)31-21-10-12-25-20(15-21)13-14-32(25)17-19-7-4-3-5-8-19/h2-16,18H,17H2,1H3,(H,30,33)(H,28,29,31)/b6-2+