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

Systemtic Name: N7-ethyl-6-nitro-N2-[[2-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]methyl]quinazoline-2,7-diamine Openeye Name: N2-[[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: N7-ethyl-6-nitro-N2-[[2-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]quinazoline-2,7-diamine IUPAC Name: 2-N-[[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: [2-[(4-benzylpiperazino)methyl]benzyl]-[7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C29H33N7O2 MolecularWeight: 511.61802

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3CN4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3CN4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H33N7O2/c1-2-30-27-17-26-25(16-28(27)36(37)38)19-32-29(33-26)31-18-23-10-6-7-11-24(23)21-35-14-12-34(13-15-35)20-22-8-4-3-5-9-22/h3-11,16-17,19,30H,2,12-15,18,20-21H2,1H3,(H,31,32,33)