4-[[7-chloranyl-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[7-chloranyl-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-2-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-2-[(4-ethylpiperazino)methyl]-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C33H36ClN7O2 MolecularWeight: 598.13764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)Cl

InChI

InChI=1S/C33H36ClN7O2/c1-4-13-41(27-10-8-25(9-11-27)32(42)36-21-24-7-6-12-35-20-24)22-26-18-28-30(19-29(26)34)37-31(38(3)33(28)43)23-40-16-14-39(5-2)15-17-40/h1,6-12,18-20H,5,13-17,21-23H2,2-3H3,(H,36,42)