4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-pentyl-phthalazin-1-one Openeye Name: 4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-pentyl-phthalazin-1-one CAS Name: 4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(SC4=CC=CC=C43)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(SC4=CC=CC=C43)C

InChI

InChI=1S/C24H27N3O2S/c1-3-4-9-15-27-23(28)19-11-6-5-10-18(19)22(25-27)24(29)26-16-14-17(2)30-21-13-8-7-12-20(21)26/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3