2-methyl-N-(1-phenethylpiperidin-4-yl)-5-phenylmethoxy-1-(phenylmethyl)indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 2-methyl-N-(1-phenethylpiperidin-4-yl)-5-phenylmethoxy-1-(phenylmethyl)indole-3-carboxamide hydrate hydrochloride Openeye Name: 1-benzyl-5-benzyloxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride CAS Name: 2-methyl-N-(1-phenethyl-4-piperidinyl)-5-phenylmethoxy-1-(phenylmethyl)-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 1-benzyl-2-methyl-N-(1-phenethylpiperidin-4-yl)-5-phenylmethoxyindole-3-carboxamide hydrate hydrochloride Traditional Name: 5-benzoxy-1-benzyl-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride Formula: C37H42ClN3O3 MolecularWeight: 612.20068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)NC5CCN(CC5)CCC6=CC=CC=C6.O.Cl

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)NC5CCN(CC5)CCC6=CC=CC=C6.O.Cl

InChI

InChI=1S/C37H39N3O2.ClH.H2O/c1-28-36(37(41)38-32-20-23-39(24-21-32)22-19-29-11-5-2-6-12-29)34-25-33(42-27-31-15-9-4-10-16-31)17-18-35(34)40(28)26-30-13-7-3-8-14-30;;/h2-18,25,32H,19-24,26-27H2,1H3,(H,38,41);1H;1H2