N-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-diethylaminoethyl)pyridine-3-carboxamide hydrate hydrochloride

Systemtic Name: N-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-diethylaminoethyl)pyridine-3-carboxamide hydrate hydrochloride Openeye Name: N-[2-(dicyclohexylamino)-2-oxo-ethyl]-N-(2-diethylaminoethyl)pyridine-3-carboxamide hydrate hydrochloride CAS Name: N-[2-(dicyclohexylamino)-2-oxoethyl]-N-(2-diethylaminoethyl)-3-pyridinecarboxamide hydrate hydrochloride IUPAC Name: N-[2-(dicyclohexylamino)-2-oxoethyl]-N-(2-diethylaminoethyl)pyridine-3-carboxamide hydrate hydrochloride Traditional Name: N-[2-(dicyclohexylamino)-2-keto-ethyl]-N-(2-diethylaminoethyl)nicotinamide hydrate hydrochloride Formula: C26H45ClN4O3 MolecularWeight: 497.1135

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CN=CC=C3.O.Cl

Isomeric SMILES

CCN(CC)CCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CN=CC=C3.O.Cl

InChI

InChI=1S/C26H42N4O2.ClH.H2O/c1-3-28(4-2)18-19-29(26(32)22-12-11-17-27-20-22)21-25(31)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24;;/h11-12,17,20,23-24H,3-10,13-16,18-19,21H2,1-2H3;1H;1H2