3-butyl-2-[(3-cyanopyridin-2-yl)amino]-5,6-dimethoxy-4-piperidin-4-yl-benzamide hydrate

Systemtic Name: 3-butyl-2-[(3-cyanopyridin-2-yl)amino]-5,6-dimethoxy-4-piperidin-4-yl-benzamide hydrate Openeye Name: 3-butyl-2-[(3-cyano-2-pyridyl)amino]-5,6-dimethoxy-4-(4-piperidyl)benzamide hydrate CAS Name: 3-butyl-2-[(3-cyano-2-pyridinyl)amino]-5,6-dimethoxy-4-(4-piperidinyl)benzamide hydrate IUPAC Name: 3-butyl-2-[(3-cyanopyridin-2-yl)amino]-5,6-dimethoxy-4-piperidin-4-ylbenzamide hydrate Traditional Name: 3-butyl-2-[(3-cyano-2-pyridyl)amino]-5,6-dimethoxy-4-(4-piperidyl)benzamide hydrate Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1NC2=C(C=CC=N2)C#N)C(=O)N)OC)OC)C3CCNCC3.O

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1NC2=C(C=CC=N2)C#N)C(=O)N)OC)OC)C3CCNCC3.O

InChI

InChI=1S/C24H31N5O3.H2O/c1-4-5-8-17-18(15-9-12-27-13-10-15)21(31-2)22(32-3)19(23(26)30)20(17)29-24-16(14-25)7-6-11-28-24;/h6-7,11,15,27H,4-5,8-10,12-13H2,1-3H3,(H2,26,30)(H,28,29);1H2