4-[(7-chloranyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[(7-chloranyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-isopropyl-phthalazin-1-one CAS Name: 4-[(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 4-(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-isopropyl-phthalazin-1-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=C(S1)C=CC(=C2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1CCN(C2=C(S1)C=CC(=C2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C22H22ClN3O2S/c1-13(2)26-21(27)17-7-5-4-6-16(17)20(24-26)22(28)25-11-10-14(3)29-19-9-8-15(23)12-18(19)25/h4-9,12-14H,10-11H2,1-3H3