N7-ethyl-N4-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[2-[[4-(2-methoxyphenyl)piperazino]methyl]benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5OC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5OC)[N+](=O)[O-]

InChI

InChI=1S/C29H33N7O3/c1-3-30-25-17-24-23(16-27(25)36(37)38)29(33-20-32-24)31-18-21-8-4-5-9-22(21)19-34-12-14-35(15-13-34)26-10-6-7-11-28(26)39-2/h4-11,16-17,20,30H,3,12-15,18-19H2,1-2H3,(H,31,32,33)