4-(dimethylamino)-2-[2-dimethylaminoethyl-(phenylmethyl)amino]pyridine-3-carbonitrile; ethanedioic acid; hydrate

Systemtic Name: 4-(dimethylamino)-2-[2-dimethylaminoethyl-(phenylmethyl)amino]pyridine-3-carbonitrile; ethanedioic acid; hydrate Openeye Name: 2-[benzyl(2-dimethylaminoethyl)amino]-4-(dimethylamino)pyridine-3-carbonitrile; oxalic acid; hydrate CAS Name: 4-(dimethylamino)-2-[2-dimethylaminoethyl-(phenylmethyl)amino]-3-pyridinecarbonitrile; oxalic acid; hydrate IUPAC Name: 2-[benzyl(2-dimethylaminoethyl)amino]-4-(dimethylamino)pyridine-3-carbonitrile; oxalic acid; hydrate Traditional Name: 2-[benzyl(2-dimethylaminoethyl)amino]-4-(dimethylamino)nicotinonitrile; oxalic acid; hydrate Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=NC=CC(=C2C#N)N(C)C.C(=O)(C(=O)O)O.O

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=NC=CC(=C2C#N)N(C)C.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C19H25N5.C2H2O4.H2O/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)19-17(14-20)18(23(3)4)10-11-21-19;3-1(4)2(5)6;/h5-11H,12-13,15H2,1-4H3;(H,3,4)(H,5,6);1H2