3-[3-[2-(6-methoxy-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one

Systemtic Name: 3-[3-[2-(6-methoxy-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Openeye Name: 3-[3-[2-(6-methoxybenzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one CAS Name: 3-[3-[2-(6-methoxy-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[2-(6-methoxy-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Traditional Name: 3-[3-[2-(6-methoxybenzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(C)CCC3=CSC4=C3C=CC(=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(C)CCC3=CSC4=C3C=CC(=C4)OC)C

InChI

InChI=1S/C27H32N2O2S/c1-19-14-21-9-13-29(27(30)16-23(21)15-20(19)2)11-5-10-28(3)12-8-22-18-32-26-17-24(31-4)6-7-25(22)26/h6-7,9,13-15,17-18H,5,8,10-12,16H2,1-4H3