4-[[2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide

Systemtic Name: 4-[[2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[[2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[[2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[[2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[[4-keto-2-[(4-methylpiperazino)methyl]-1H-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-nitrobenzyl)benzamide Formula: C32H33N7O4 MolecularWeight: 579.64892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CC(=C3)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CC(=C3)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H33N7O4/c1-3-13-38(26-10-8-25(9-11-26)31(40)33-20-23-5-4-6-27(18-23)39(42)43)21-24-7-12-29-28(19-24)32(41)35-30(34-29)22-37-16-14-36(2)15-17-37/h1,4-12,18-19H,13-17,20-22H2,2H3,(H,33,40)(H,34,35,41)