7,8-dimethyl-3-[[1-(4-thiophen-2-ylbutyl)piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 7,8-dimethyl-3-[[1-(4-thiophen-2-ylbutyl)piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 7,8-dimethyl-3-[[1-[4-(2-thienyl)butyl]-3-piperidyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 7,8-dimethyl-3-[[1-(4-thiophen-2-ylbutyl)-3-piperidinyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 7,8-dimethyl-3-[[1-(4-thiophen-2-ylbutyl)piperidin-3-yl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 7,8-dimethyl-3-[[1-[4-(2-thienyl)butyl]-3-piperidyl]methyl]-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCCCC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCCCC4=CC=CS4)C

InChI

InChI=1S/C26H36N2OS/c1-20-15-23-10-13-28(26(29)17-24(23)16-21(20)2)19-22-7-5-12-27(18-22)11-4-3-8-25-9-6-14-30-25/h6,9,14-16,22H,3-5,7-8,10-13,17-19H2,1-2H3