6-[[(3-ethynylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[(3-ethynylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[(3-ethynyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[(3-ethynyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[(3-ethynyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[(3-ethynyl-N-propargyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H17N3O/c1-4-11-24(18-8-6-7-16(5-2)12-18)14-17-9-10-20-19(13-17)21(25)23-15(3)22-20/h1-2,6-10,12-13H,11,14H2,3H3,(H,22,23,25)