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

Systemtic Name: 2-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(3,4-dichloro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(3,4-dichloro-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C18H13Cl2N3O MolecularWeight: 358.22132

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=NC(=O)C2=CC=CC=C2N1)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C#CCN(CC1=NC(=O)C2=CC=CC=C2N1)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O/c1-2-9-23(12-7-8-14(19)15(20)10-12)11-17-21-16-6-4-3-5-13(16)18(24)22-17/h1,3-8,10H,9,11H2,(H,21,22,24)