4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4O2S/c1-2-13-28-23(29)18-8-4-3-7-17(18)21(26-28)24(30)27-14-11-16(12-15-27)22-25-19-9-5-6-10-20(19)31-22/h3-10,16H,2,11-15H2,1H3