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

Systemtic Name: 2-methyl-6-[[[4-(phenylcarbonyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[(4-benzoyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[(4-benzoyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[(4-benzoyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[(4-benzoyl-N-propargyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O2/c1-3-15-29(17-19-9-14-24-23(16-19)26(31)28-18(2)27-24)22-12-10-21(11-13-22)25(30)20-7-5-4-6-8-20/h1,4-14,16H,15,17H2,2H3,(H,27,28,31)