1-[4-[(4-nitrophenyl)methylamino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 1-[4-[(4-nitrophenyl)methylamino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 1-[4-[(4-nitrophenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 1-[[4-[(4-nitrophenyl)methylamino]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 1-[4-[(4-nitrophenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 1-[4-[(4-nitrobenzyl)amino]prolyl]pyrrolidine-2-carbonitrile dihydrochloride Formula: C17H23Cl2N5O3 MolecularWeight: 416.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NCC3=CC=C(C=C3)[N+](=O)[O-])C#N.Cl.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)NCC3=CC=C(C=C3)[N+](=O)[O-])C#N.Cl.Cl

InChI

InChI=1S/C17H21N5O3.2ClH/c18-9-15-2-1-7-21(15)17(23)16-8-13(11-20-16)19-10-12-3-5-14(6-4-12)22(24)25;;/h3-6,13,15-16,19-20H,1-2,7-8,10-11H2;2*1H