N-[(4-acetamidophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(4-acetamidobenzyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O3/c1-3-12-25-21(28)18-7-5-4-6-17(18)19(24-25)20(27)22-13-15-8-10-16(11-9-15)23-14(2)26/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,26)