3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phthalazine-1-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-phthalazinecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN4O4/c1-34-21-12-11-17(13-20(21)26)30-25(33)19-10-6-5-9-18(19)23(29-30)24(32)28-15-22(31)27-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,27,31)(H,28,32)