1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine CAS Name: 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine IUPAC Name: 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Traditional Name: 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Formula: C22H28N2S MolecularWeight: 352.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC(C2N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SCCC(C2N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2S/c1-17-8-9-21-20(16-17)22(24-13-11-23(2)12-14-24)19(10-15-25-21)18-6-4-3-5-7-18/h3-9,16,19,22H,10-15H2,1-2H3