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

Systemtic Name: N-[2-[(2-chlorophenyl)carbonylamino]ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[[(2-chlorophenyl)-oxomethyl]amino]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-keto-phthalazine-1-carboxamide Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCNC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCNC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H21ClN4O3/c26-21-13-7-6-12-20(21)23(31)27-14-15-28-24(32)22-18-10-4-5-11-19(18)25(33)30(29-22)16-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,27,31)(H,28,32)