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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: benzyl-[4-[[4-(2-chlorophenyl)piperazino]methyl]-7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C28H30ClN7O2 MolecularWeight: 532.0365

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=C(N=C2CN3CCN(CC3)C4=CC=CC=C4Cl)NCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=C(N=C2CN3CCN(CC3)C4=CC=CC=C4Cl)NCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H30ClN7O2/c1-2-30-24-17-23-21(16-27(24)36(37)38)25(33-28(32-23)31-18-20-8-4-3-5-9-20)19-34-12-14-35(15-13-34)26-11-7-6-10-22(26)29/h3-11,16-17,30H,2,12-15,18-19H2,1H3,(H,31,32,33)