N,N-diethyl-1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethanamine dihydrochloride

Systemtic Name: N,N-diethyl-1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethanamine dihydrochloride Openeye Name: N,N-diethyl-1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethanamine dihydrochloride CAS Name: N,N-diethyl-1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethanamine dihydrochloride IUPAC Name: N,N-diethyl-1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethanamine dihydrochloride Traditional Name: diethyl-[1-(7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-1-yl)ethyl]amine dihydrochloride Formula: C21H28Cl2N4O2 MolecularWeight: 439.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)N1CCN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN(CC)C(C)N1CCN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H26N4O2.2ClH/c1-4-23(5-2)16(3)24-14-13-22-21(17-9-7-6-8-10-17)19-15-18(25(26)27)11-12-20(19)24;;/h6-12,15-16H,4-5,13-14H2,1-3H3;2*1H