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

Systemtic Name: 3-[3-[2-(1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Openeye Name: 3-[3-[2-(benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one CAS Name: 3-[3-[2-(1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one IUPAC Name: 3-[3-[2-(1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Traditional Name: 3-[3-[2-(benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethyl-1H-3-benzazepin-2-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(C)CCC3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C2C=CN(C(=O)CC2=C1)CCCN(C)CCC3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C26H30N2OS/c1-19-15-21-10-14-28(26(29)17-23(21)16-20(19)2)12-6-11-27(3)13-9-22-18-30-25-8-5-4-7-24(22)25/h4-5,7-8,10,14-16,18H,6,9,11-13,17H2,1-3H3