N-[(4-chlorophenyl)methyl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-14(2)11-12-25-21(27)18-6-4-3-5-17(18)19(24-25)20(26)23-13-15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)