2-propyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-propyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-propyl-4-[4-(3-thienylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 2-propyl-4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-propyl-4-[4-(3-thenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H24N4O2S/c1-2-8-25-20(26)18-6-4-3-5-17(18)19(22-25)21(27)24-11-9-23(10-12-24)14-16-7-13-28-15-16/h3-7,13,15H,2,8-12,14H2,1H3