3-[3-[4-(2,5-dimethylthiophen-3-yl)butyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[4-(2,5-dimethylthiophen-3-yl)butyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[4-(2,5-dimethyl-3-thienyl)butyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[4-(2,5-dimethyl-3-thiophenyl)butyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[4-(2,5-dimethylthiophen-3-yl)butyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[4-(2,5-dimethyl-3-thienyl)butyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)CCCCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

Isomeric SMILES

CC1=CC(=C(S1)C)CCCCN(C)CCCN2CCC3=CC(=C(C=C3CC2=O)OC)OC

InChI

InChI=1S/C26H38N2O3S/c1-19-15-21(20(2)32-19)9-6-7-11-27(3)12-8-13-28-14-10-22-16-24(30-4)25(31-5)17-23(22)18-26(28)29/h15-17H,6-14,18H2,1-5H3