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7-(1,4-diazepan-1-yl)-6-nitro-N-(phenylmethyl)quinazolin-4-amine

Systemtic Name:	7-(1,4-diazepan-1-yl)-6-nitro-N-(phenylmethyl)quinazolin-4-amine
Openeye Name:	N-benzyl-7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-amine
CAS Name:	7-(1,4-diazepan-1-yl)-6-nitro-N-(phenylmethyl)-4-quinazolinamine
IUPAC Name:	N-benzyl-7-(1,4-diazepan-1-yl)-6-nitroquinazolin-4-amine
Traditional Name:	benzyl-[7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-yl]amine
Formula:	C₂₀H₂₂N₆O₂
MolecularWeight:	378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c27-26(28)19-11-16-17(12-18(19)25-9-4-7-21-8-10-25)23-14-24-20(16)22-13-15-5-2-1-3-6-15/h1-3,5-6,11-12,14,21H,4,7-10,13H2,(H,22,23,24)

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