N-[2-[(2-chlorophenyl)carbonylamino]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-chlorophenyl)carbonylamino]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H25ClN4O3/c1-2-3-8-15-28-23(31)17-10-5-4-9-16(17)20(27-28)22(30)26-14-13-25-21(29)18-11-6-7-12-19(18)24/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,25,29)(H,26,30)