2-propan-2-yl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phthalazin-1-one

Systemtic Name: 2-propan-2-yl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phthalazin-1-one Openeye Name: 2-isopropyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 2-propan-2-yl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phthalazin-1-one Traditional Name: 2-isopropyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phthalazin-1-one Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCC4=CC=CC=C43

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2/c1-15(2)25-21(26)18-12-5-4-11-17(18)20(23-25)22(27)24-14-8-7-10-16-9-3-6-13-19(16)24/h3-6,9,11-13,15H,7-8,10,14H2,1-2H3