4-[[7-chloranyl-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 4-[[7-chloranyl-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-[[7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-[[7-chloro-4-keto-3-methyl-2-[(4-methylpiperazino)methyl]quinazolin-6-yl]methyl-propargyl-amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C32H37ClN8O2 MolecularWeight: 601.14158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)NCCCN5C=CN=C5)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)NCCCN5C=CN=C5)Cl

InChI

InChI=1S/C32H37ClN8O2/c1-4-12-41(26-8-6-24(7-9-26)31(42)35-10-5-13-40-14-11-34-23-40)21-25-19-27-29(20-28(25)33)36-30(38(3)32(27)43)22-39-17-15-37(2)16-18-39/h1,6-9,11,14,19-20,23H,5,10,12-13,15-18,21-22H2,2-3H3,(H,35,42)