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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-benzyl-phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-benzylphthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-benzyl-phthalazin-1-one Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-21-19-13-7-6-12-18(19)20(22(27)24-14-8-1-2-9-15-24)23-25(21)16-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2