4-(4-imidazol-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one

Systemtic Name: 4-(4-imidazol-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Openeye Name: 4-(4-imidazol-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one CAS Name: 4-[4-(1-imidazolyl)phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one IUPAC Name: 4-(4-imidazol-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Traditional Name: 4-(4-imidazol-1-ylphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCC2C(C1)C(=NNC2=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C17H18N4O/c22-17-15-4-2-1-3-14(15)16(19-20-17)12-5-7-13(8-6-12)21-10-9-18-11-21/h5-11,14-15H,1-4H2,(H,20,22)