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

Systemtic Name: 6-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[(3,4-dichloro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 6-[(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=CC2=C(C=C1)NC=NC2=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC=NC2=O)C3=CC(=C(C=C3)Cl)Cl

InChI

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