2-methyl-N-[(1-phenethylpiperidin-4-yl)methyl]indazole-3-carboxamide hydrate hydrochloride

Systemtic Name: 2-methyl-N-[(1-phenethylpiperidin-4-yl)methyl]indazole-3-carboxamide hydrate hydrochloride Openeye Name: 2-methyl-N-[(1-phenethyl-4-piperidyl)methyl]indazole-3-carboxamide hydrate hydrochloride CAS Name: 2-methyl-N-[(1-phenethyl-4-piperidinyl)methyl]-3-indazolecarboxamide hydrate hydrochloride IUPAC Name: 2-methyl-N-[(1-phenethylpiperidin-4-yl)methyl]indazole-3-carboxamide hydrate hydrochloride Traditional Name: 2-methyl-N-[(1-phenethyl-4-piperidyl)methyl]indazole-3-carboxamide hydrate hydrochloride Formula: C23H31ClN4O2 MolecularWeight: 430.97084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=CC2=N1)C(=O)NCC3CCN(CC3)CCC4=CC=CC=C4.O.Cl

Isomeric SMILES

CN1C(=C2C=CC=CC2=N1)C(=O)NCC3CCN(CC3)CCC4=CC=CC=C4.O.Cl

InChI

InChI=1S/C23H28N4O.ClH.H2O/c1-26-22(20-9-5-6-10-21(20)25-26)23(28)24-17-19-12-15-27(16-13-19)14-11-18-7-3-2-4-8-18;;/h2-10,19H,11-17H2,1H3,(H,24,28);1H;1H2