6-(1-benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: 6-(1-benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide Openeye Name: 6-(benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide CAS Name: 6-(1-benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[2-(1-imidazolyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-(1-benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide Traditional Name: 6-(benzothiophen-3-yl)-2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-(2-imidazol-1-ylethyl)nicotinamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COCCO1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCCN5C=CN=C5

Isomeric SMILES

CN(CC1COCCO1)C2=C(C=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCCN5C=CN=C5

InChI

InChI=1S/C25H27N5O3S/c1-29(14-18-15-32-12-13-33-18)24-20(25(31)27-9-11-30-10-8-26-17-30)6-7-22(28-24)21-16-34-23-5-3-2-4-19(21)23/h2-8,10,16-18H,9,11-15H2,1H3,(H,27,31)