N-(3-azanyl-3-oxidanylidene-propyl)-N-(4-fluorophenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-N-(4-fluorophenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-3-benzyl-N-(4-fluorophenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-3-benzyl-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-3-benzyl-N-(4-fluorophenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N(CCC(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N(CCC(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O3/c26-18-10-12-19(13-11-18)29(15-14-22(27)31)25(33)23-20-8-4-5-9-21(20)24(32)30(28-23)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,27,31)