6-[[2-(3-methylbutyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]oxy]pyridine-3-carboxamide

Systemtic Name: 6-[[2-(3-methylbutyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]oxy]pyridine-3-carboxamide Openeye Name: 6-[(2-isopentyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)oxy]pyridine-3-carboxamide CAS Name: 6-[[2-(3-methylbutyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]oxy]-3-pyridinecarboxamide IUPAC Name: 6-[[2-(3-methylbutyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]oxy]pyridine-3-carboxamide Traditional Name: 6-[(2-isoamyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)oxy]nicotinamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCCC2=C(C1)C=CC(=C2)OC3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CCN1CCCC2=C(C1)C=CC(=C2)OC3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,22,25)