6-nitro-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-quinazolin-4-one Openeye Name: 6-nitro-7-[4-(3-pyridylmethyl)piperazin-1-yl]-1H-quinazolin-4-one CAS Name: 6-nitro-7-[4-(3-pyridinylmethyl)-1-piperazinyl]-1H-quinazolin-4-one IUPAC Name: 6-nitro-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-quinazolin-4-one Traditional Name: 6-nitro-7-[4-(3-pyridylmethyl)piperazino]-1H-quinazolin-4-one Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c25-18-14-8-17(24(26)27)16(9-15(14)20-12-21-18)23-6-4-22(5-7-23)11-13-2-1-3-19-10-13/h1-3,8-10,12H,4-7,11H2,(H,20,21,25)