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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-[(4-phenylpiperazino)methyl]benzyl]amino]quinazolin-7-yl]amine Formula: C28H31N7O2 MolecularWeight: 497.59144

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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=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H31N7O2/c1-2-29-26-17-25-24(16-27(26)35(36)37)28(32-20-31-25)30-18-21-8-6-7-9-22(21)19-33-12-14-34(15-13-33)23-10-4-3-5-11-23/h3-11,16-17,20,29H,2,12-15,18-19H2,1H3,(H,30,31,32)