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

Systemtic Name: 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Openeye Name: 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride CAS Name: 7-methyl-4-[(4-methyl-1-piperazinyl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride IUPAC Name: 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Traditional Name: 7-methyl-4-[(4-methylpiperazino)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride Formula: C17H26Cl2N2O2 MolecularWeight: 361.30654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl

InChI

InChI=1S/C17H24N2O2.2ClH/c1-13-3-4-16-15(11-13)17(20)14(5-10-21-16)12-19-8-6-18(2)7-9-19;;/h3-4,11,14H,5-10,12H2,1-2H3;2*1H