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

Systemtic Name: 1-[4-[(4-phenoxyphenyl)methylamino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 1-[4-[(4-phenoxyphenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 1-[oxo-[4-[(4-phenoxyphenyl)methylamino]-2-pyrrolidinyl]methyl]-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 1-[4-[(4-phenoxyphenyl)methylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 1-[4-[(4-phenoxybenzyl)amino]prolyl]pyrrolidine-2-carbonitrile dihydrochloride Formula: C23H28Cl2N4O2 MolecularWeight: 463.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NCC3=CC=C(C=C3)OC4=CC=CC=C4)C#N.Cl.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)NCC3=CC=C(C=C3)OC4=CC=CC=C4)C#N.Cl.Cl

InChI

InChI=1S/C23H26N4O2.2ClH/c24-14-19-5-4-12-27(19)23(28)22-13-18(16-26-22)25-15-17-8-10-21(11-9-17)29-20-6-2-1-3-7-20;;/h1-3,6-11,18-19,22,25-26H,4-5,12-13,15-16H2;2*1H