N-[2-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-6-yl]cyclopropanecarboxamide Openeye Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-6-yl]cyclopropanecarboxamide CAS Name: N-[2-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-(phenylmethyl)-6-quinazolinyl]cyclopropanecarboxamide IUPAC Name: N-[3-benzyl-2-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinazolin-6-yl]cyclopropanecarboxamide Traditional Name: N-[3-benzyl-4-keto-2-methyl-7-(4-methylpiperazino)quinazolin-6-yl]cyclopropanecarboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C4CC4)N5CCN(CC5)C

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C4CC4)N5CCN(CC5)C

InChI

InChI=1S/C25H29N5O2/c1-17-26-21-15-23(29-12-10-28(2)11-13-29)22(27-24(31)19-8-9-19)14-20(21)25(32)30(17)16-18-6-4-3-5-7-18/h3-7,14-15,19H,8-13,16H2,1-2H3,(H,27,31)