N7-ethyl-6-nitro-N4-[[1-(phenylmethyl)piperidin-4-yl]methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[[1-(phenylmethyl)piperidin-4-yl]methyl]quinazoline-4,7-diamine Openeye Name: N4-[(1-benzyl-4-piperidyl)methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[1-(phenylmethyl)-4-piperidinyl]methyl]quinazoline-4,7-diamine IUPAC Name: 4-N-[(1-benzylpiperidin-4-yl)methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: (1-benzyl-4-piperidyl)methyl-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3CCN(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)23(27-16-26-20)25-14-17-8-10-28(11-9-17)15-18-6-4-3-5-7-18/h3-7,12-13,16-17,24H,2,8-11,14-15H2,1H3,(H,25,26,27)