2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c27-21-19(26(28)29)20(22-18-3-1-2-6-25(18)21)24-9-7-23(8-10-24)14-15-4-5-16-17(13-15)31-12-11-30-16/h1-6,13H,7-12,14H2