4-azanyl-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]piperidin-4-yl]-5-chloranyl-2,2-dimethyl-3H-1-benzofuran-7-carboxamide; ethanedioate

Systemtic Name: 4-azanyl-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]piperidin-4-yl]-5-chloranyl-2,2-dimethyl-3H-1-benzofuran-7-carboxamide; ethanedioate Openeye Name: 4-amino-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]-4-piperidyl]-5-chloro-2,2-dimethyl-3H-benzofuran-7-carboxamide; oxalate CAS Name: 4-amino-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]-4-piperidinyl]-5-chloro-2,2-dimethyl-3H-benzofuran-7-carboxamide; oxalate IUPAC Name: 4-amino-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide; oxalate Traditional Name: 4-amino-N-[1-[2-(1H-benzimidazol-2-ylamino)ethyl]-4-piperidyl]-5-chloro-2,2-dimethyl-coumaran-7-carboxamide; oxalate Formula: C29H31ClN6O10-4 MolecularWeight: 659.04364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NC3CCN(CC3)CCNC4=NC5=CC=CC=C5N4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NC3CCN(CC3)CCNC4=NC5=CC=CC=C5N4)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C25H31ClN6O2.2C2H2O4/c1-25(2)14-17-21(27)18(26)13-16(22(17)34-25)23(33)29-15-7-10-32(11-8-15)12-9-28-24-30-19-5-3-4-6-20(19)31-24;2*3-1(4)2(5)6/h3-6,13,15H,7-12,14,27H2,1-2H3,(H,29,33)(H2,28,30,31);2*(H,3,4)(H,5,6)/p-4