4-(azepan-1-ylcarbonyl)-2-phenyl-phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-phenyl-phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-phenyl-phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-phenylphthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-phenyl-phthalazin-1-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c25-20-18-13-7-6-12-17(18)19(21(26)23-14-8-1-2-9-15-23)22-24(20)16-10-4-3-5-11-16/h3-7,10-13H,1-2,8-9,14-15H2