2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one

Systemtic Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Openeye Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one CAS Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]-10-thieno[3,2-c][1]benzazepinone IUPAC Name: 2-methyl-4-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Traditional Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazino]thieno[3,2-c][1]benzazepin-10-one Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCN(C(C4)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCN([C@H](C4)CCC5=CC=CC=C5)C

InChI

InChI=1S/C26H27N3OS/c1-18-16-22-25(31-18)24(30)21-10-6-7-11-23(21)27-26(22)29-15-14-28(2)20(17-29)13-12-19-8-4-3-5-9-19/h3-11,16,20H,12-15,17H2,1-2H3/t20-/m0/s1