N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26(28-20-14-16-21(17-15-20)30-18-8-1-2-9-19-30)25-23-12-6-7-13-24(23)27(33)31(29-25)22-10-4-3-5-11-22/h3-7,10-17H,1-2,8-9,18-19H2,(H,28,32)