7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride

Systemtic Name: 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Openeye Name: 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride CAS Name: 7,8-dimethyl-4-[(4-methyl-1-piperazinyl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride IUPAC Name: 7,8-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Traditional Name: 7,8-dimethyl-4-[(4-methylpiperazino)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Formula: C18H28Cl2N2O2 MolecularWeight: 375.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(CCO2)CN3CCN(CC3)C)C.Cl.Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(CCO2)CN3CCN(CC3)C)C.Cl.Cl

InChI

InChI=1S/C18H26N2O2.2ClH/c1-13-10-16-17(11-14(13)2)22-9-4-15(18(16)21)12-20-7-5-19(3)6-8-20;;/h10-11,15H,4-9,12H2,1-3H3;2*1H