2-propyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one

Systemtic Name: 2-propyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one Openeye Name: 2-propyl-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 2-propyl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one Traditional Name: 2-propyl-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c1-2-10-26-21(27)19-9-4-3-8-18(19)20(23-26)22(28)25-12-6-11-24(13-14-25)16-17-7-5-15-29-17/h3-5,7-9,15H,2,6,10-14,16H2,1H3