N-[5-oxidanylidene-4-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]cyclohepta-1,3,6-trien-1-yl]ethanamide dihydrochloride

Systemtic Name: N-[5-oxidanylidene-4-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]cyclohepta-1,3,6-trien-1-yl]ethanamide dihydrochloride Openeye Name: N-[4-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-5-oxo-cyclohepta-1,3,6-trien-1-yl]acetamide dihydrochloride CAS Name: N-[4-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-5-oxo-1-cyclohepta-1,3,6-trienyl]acetamide dihydrochloride IUPAC Name: N-[4-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide dihydrochloride Traditional Name: N-[4-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-5-keto-cyclohepta-1,3,6-trien-1-yl]acetamide dihydrochloride Formula: C21H29Cl2N3O4 MolecularWeight: 458.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)NC(=O)C)O.Cl.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)NC(=O)C)O.Cl.Cl

InChI

InChI=1S/C21H27N3O4.2ClH/c1-14(2)22-12-18(26)13-28-19-8-4-17(5-9-19)24-20-10-6-16(23-15(3)25)7-11-21(20)27;;/h4-11,14,18,22,26H,12-13H2,1-3H3,(H,23,25)(H,24,27);2*1H