4-[4-(azepan-1-yl)-3-pyrrol-1-yl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-yl)-3-pyrrol-1-yl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-yl)-3-pyrrol-1-yl-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(1-azepanyl)-3-(1-pyrrolyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-yl)-3-pyrrol-1-ylphenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-yl)-3-pyrrol-1-yl-phenyl]-2H-phthalazin-1-one Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N5C=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N5C=CC=C5

InChI

InChI=1S/C24H24N4O/c29-24-20-10-4-3-9-19(20)23(25-26-24)18-11-12-21(27-13-5-1-2-6-14-27)22(17-18)28-15-7-8-16-28/h3-4,7-12,15-17H,1-2,5-6,13-14H2,(H,26,29)