N7-ethyl-6-nitro-N4-[[2-(piperidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(piperidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-(1-piperidylmethyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-(1-piperidinylmethyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-(piperidinomethyl)benzyl]amino]quinazolin-7-yl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O2/c1-2-24-21-13-20-19(12-22(21)29(30)31)23(27-16-26-20)25-14-17-8-4-5-9-18(17)15-28-10-6-3-7-11-28/h4-5,8-9,12-13,16,24H,2-3,6-7,10-11,14-15H2,1H3,(H,25,26,27)