N4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)benzyl]-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCC5=CC=CC=C5C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCC5=CC=CC=C5C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O2/c1-2-27-23-14-22-21(13-25(23)32(33)34)26(30-17-29-22)28-15-19-8-5-6-10-24(19)31-12-11-18-7-3-4-9-20(18)16-31/h3-10,13-14,17,27H,2,11-12,15-16H2,1H3,(H,28,29,30)