2-(3-chlorophenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-(prop-2-ynyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-(propargyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C19H13ClN2O2 MolecularWeight: 336.77172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H13ClN2O2/c1-2-10-21-12-17-15-8-3-4-9-16(15)18(23)22(19(17)24)14-7-5-6-13(20)11-14/h1,3-9,11-12,17H,10H2