2-tert-butyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-chromene-8-carboxamide dihydrate dihydrochloride

Systemtic Name: 2-tert-butyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-chromene-8-carboxamide dihydrate dihydrochloride Openeye Name: 2-tert-butyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-chromene-8-carboxamide dihydrate dihydrochloride CAS Name: 2-tert-butyl-N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-1-benzopyran-8-carboxamide dihydrate dihydrochloride IUPAC Name: 2-tert-butyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxochromene-8-carboxamide dihydrate dihydrochloride Traditional Name: 2-tert-butyl-4-keto-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-3-methyl-chromene-8-carboxamide dihydrate dihydrochloride Formula: C29H43Cl2N3O6 MolecularWeight: 600.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(C)(C)C.O.O.Cl.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(C)(C)C.O.O.Cl.Cl

InChI

InChI=1S/C29H37N3O4.2ClH.2H2O/c1-20-25(33)21-10-8-11-22(26(21)36-27(20)29(2,3)4)28(34)30-14-9-15-31-16-18-32(19-17-31)23-12-6-7-13-24(23)35-5;;;;/h6-8,10-13H,9,14-19H2,1-5H3,(H,30,34);2*1H;2*1H2