6-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[(4-acetyl-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 6-[(4-acetyl-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C20H17N3O2/c1-3-10-23(17-7-5-16(6-8-17)14(2)24)12-15-4-9-19-18(11-15)20(25)22-13-21-19/h1,4-9,11,13H,10,12H2,2H3,(H,21,22,25)