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

Systemtic Name: 4-[(4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC=NC2=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC=NC2=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H21N5O2/c1-2-12-30(16-18-5-10-23-22(13-18)25(32)29-17-28-23)21-8-6-20(7-9-21)24(31)27-15-19-4-3-11-26-14-19/h1,3-11,13-14,17H,12,15-16H2,(H,27,31)(H,28,29,32)