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

Systemtic Name: 4-[[7-chloranyl-2-(diethylaminomethyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-chloro-2-(diethylaminomethyl)-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[7-chloro-2-(diethylaminomethyl)-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C31H33ClN6O2 MolecularWeight: 557.08572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CCN(CC)CC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C31H33ClN6O2/c1-5-15-38(25-12-10-23(11-13-25)30(39)34-19-22-9-8-14-33-18-22)20-24-16-26-28(17-27(24)32)35-29(36(4)31(26)40)21-37(6-2)7-3/h1,8-14,16-18H,6-7,15,19-21H2,2-4H3,(H,34,39)