2-butyl-4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phthalazin-1-one

Systemtic Name: 2-butyl-4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)phthalazin-1-one Openeye Name: 2-butyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one CAS Name: 2-butyl-4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one Traditional Name: 2-butyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2S/c1-2-3-14-25-21(26)17-10-5-4-9-16(17)20(23-25)22(27)24-13-8-15-28-19-12-7-6-11-18(19)24/h4-7,9-12H,2-3,8,13-15H2,1H3