N-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)F

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)F

InChI

InChI=1S/C27H26FN5O2/c1-31-14-7-15-32(17-16-31)24-13-12-19(18-23(24)28)29-26(34)25-21-10-5-6-11-22(21)27(35)33(30-25)20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3,(H,29,34)