N-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-diazepan-1-yl)-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-diazepan-1-yl)-6-nitroquinazolin-4-amine Traditional Name: [7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-yl]-piperonyl-amine Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c28-27(29)18-9-15-16(10-17(18)26-6-1-4-22-5-7-26)24-12-25-21(15)23-11-14-2-3-19-20(8-14)31-13-30-19/h2-3,8-10,12,22H,1,4-7,11,13H2,(H,23,24,25)