4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-nitro-quinazoline hydrochloride

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-nitro-quinazoline hydrochloride Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-nitro-quinazoline hydrochloride CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-nitroquinazoline hydrochloride IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-nitroquinazoline hydrochloride Traditional Name: 6-nitro-4-(4-piperonylpiperazino)quinazoline hydrochloride Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H19N5O4.ClH/c26-25(27)15-2-3-17-16(10-15)20(22-12-21-17)24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)29-13-28-18;/h1-4,9-10,12H,5-8,11,13H2;1H