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

Systemtic Name: 2-methyl-4-[(3S)-4-methyl-3-(phenylmethyl)piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Openeye Name: 4-[(3S)-3-benzyl-4-methyl-piperazin-1-yl]-2-methyl-thieno[3,2-c][1]benzazepin-10-one CAS Name: 2-methyl-4-[(3S)-4-methyl-3-(phenylmethyl)-1-piperazinyl]-10-thieno[3,2-c][1]benzazepinone IUPAC Name: 4-[(3S)-3-benzyl-4-methylpiperazin-1-yl]-2-methylthieno[3,2-c][1]benzazepin-10-one Traditional Name: 4-[(3S)-3-benzyl-4-methyl-piperazino]-2-methyl-thieno[3,2-c][1]benzazepin-10-one Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCN(C(C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCN([C@H](C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H25N3OS/c1-17-14-21-24(30-17)23(29)20-10-6-7-11-22(20)26-25(21)28-13-12-27(2)19(16-28)15-18-8-4-3-5-9-18/h3-11,14,19H,12-13,15-16H2,1-2H3/t19-/m0/s1