6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenyl-isochromen-1-one

Systemtic Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenyl-isochromen-1-one Openeye Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenyl-isochromen-1-one CAS Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenyl-2-benzopyran-1-one IUPAC Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenylisochromen-1-one Traditional Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-3-phenyl-isocoumarin Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)NCCC4=CN=CN4)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)NCCC4=CN=CN4)C(=O)O2

InChI

InChI=1S/C20H17N3O2/c24-20-18-7-6-16(22-9-8-17-12-21-13-23-17)10-15(18)11-19(25-20)14-4-2-1-3-5-14/h1-7,10-13,22H,8-9H2,(H,21,23)