(4S,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Systemtic Name: (4S,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Openeye Name: (4S,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol CAS Name: (4S,5S)-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol IUPAC Name: (4S,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Traditional Name: (4S,5S)-7,8-dimethyl-4-(4-methylpiperazino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(C(CCO2)N3CCN(CC3)C)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)[C@@H]([C@H](CCO2)N3CCN(CC3)C)O)C

InChI

InChI=1S/C17H26N2O2/c1-12-10-14-16(11-13(12)2)21-9-4-15(17(14)20)19-7-5-18(3)6-8-19/h10-11,15,17,20H,4-9H2,1-3H3/t15-,17-/m0/s1