5-(2-nitrophenyl)-N7,N7,N9,N9-tetrapropyl-3H-1,4-benzodiazepine-2,7,9-triamine

Systemtic Name: 5-(2-nitrophenyl)-N7,N7,N9,N9-tetrapropyl-3H-1,4-benzodiazepine-2,7,9-triamine Openeye Name: 5-(2-nitrophenyl)-N7,N7,N9,N9-tetrapropyl-3H-1,4-benzodiazepine-2,7,9-triamine CAS Name: 5-(2-nitrophenyl)-N7,N7,N9,N9-tetrapropyl-3H-1,4-benzodiazepine-2,7,9-triamine IUPAC Name: 5-(2-nitrophenyl)-7-N,7-N,9-N,9-N-tetrapropyl-3H-1,4-benzodiazepine-2,7,9-triamine Traditional Name: [2-amino-7-(dipropylamino)-5-(2-nitrophenyl)-3H-1,4-benzodiazepin-9-yl]-dipropyl-amine Formula: C27H38N6O2 MolecularWeight: 478.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C2C(=C1)C(=NCC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])N(CCC)CCC

Isomeric SMILES

CCCN(CCC)C1=CC(=C2C(=C1)C(=NCC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])N(CCC)CCC

InChI

InChI=1S/C27H38N6O2/c1-5-13-31(14-6-2)20-17-22-26(21-11-9-10-12-23(21)33(34)35)29-19-25(28)30-27(22)24(18-20)32(15-7-3)16-8-4/h9-12,17-18H,5-8,13-16,19H2,1-4H3,(H2,28,30)