3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C3C=CC=CN3C2=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C3C=CC=CN3C2=O)CC4=CC=CS4

InChI

InChI=1S/C19H20N4O2S/c24-18(16-13-20-17-6-1-2-9-23(17)19(16)25)22-8-4-7-21(10-11-22)14-15-5-3-12-26-15/h1-3,5-6,9,12-13H,4,7-8,10-11,14H2