N7-ethyl-6-nitro-N2-[[1-(phenylmethyl)piperidin-4-yl]methyl]quinazoline-2,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N2-[[1-(phenylmethyl)piperidin-4-yl]methyl]quinazoline-2,7-diamine Openeye Name: N2-[(1-benzyl-4-piperidyl)methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: N7-ethyl-6-nitro-N2-[[1-(phenylmethyl)-4-piperidinyl]methyl]quinazoline-2,7-diamine IUPAC Name: 2-N-[(1-benzylpiperidin-4-yl)methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: (1-benzyl-4-piperidyl)methyl-[7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O2/c1-2-24-21-13-20-19(12-22(21)29(30)31)15-26-23(27-20)25-14-17-8-10-28(11-9-17)16-18-6-4-3-5-7-18/h3-7,12-13,15,17,24H,2,8-11,14,16H2,1H3,(H,25,26,27)