N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine; 2-nitrosoethenimine; pyridine-4-carboxylic acid

Systemtic Name: N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine; 2-nitrosoethenimine; pyridine-4-carboxylic acid Openeye Name: N,N-dimethyl-3-phenyl-3-(2-pyridyl)propan-1-amine; isonicotinic acid; 2-nitrosoethenimine CAS Name: N,N-dimethyl-3-phenyl-3-(2-pyridinyl)-1-propanamine; 2-nitrosoethenimine; 4-pyridinecarboxylic acid IUPAC Name: N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine; 2-nitrosoethenimine; pyridine-4-carboxylic acid Traditional Name: dimethyl-[3-phenyl-3-(2-pyridyl)propyl]amine; isonicotinic acid; 2-nitrosoethenylideneamine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.C1=CN=CC=C1C(=O)O.C(=C=N)N=O

Isomeric SMILES

CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.C1=CN=CC=C1C(=O)O.C(=C=N)N=O

InChI

InChI=1S/C16H20N2.C6H5NO2.C2H2N2O/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;8-6(9)5-1-3-7-4-2-5;3-1-2-4-5/h3-10,12,15H,11,13H2,1-2H3;1-4H,(H,8,9);2-3H