2-(1-adamantylamino)-1-[5-(2-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone hydrochloride

Systemtic Name: 2-(1-adamantylamino)-1-[5-(2-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone hydrochloride Openeye Name: 2-(1-adamantylamino)-1-[5-(2-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone hydrochloride CAS Name: 2-(1-adamantylamino)-1-[5-[(2-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]ethanone hydrochloride IUPAC Name: 2-(1-adamantylamino)-1-[5-(2-chlorobenzoyl)-1-methylpyrrol-3-yl]ethanone hydrochloride Traditional Name: 2-(1-adamantylamino)-1-[5-(2-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone hydrochloride Formula: C24H28Cl2N2O2 MolecularWeight: 447.39732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=CC=C2Cl)C(=O)CNC34CC5CC(C3)CC(C5)C4.Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=CC=C2Cl)C(=O)CNC34CC5CC(C3)CC(C5)C4.Cl

InChI

InChI=1S/C24H27ClN2O2.ClH/c1-27-14-18(9-21(27)23(29)19-4-2-3-5-20(19)25)22(28)13-26-24-10-15-6-16(11-24)8-17(7-15)12-24;/h2-5,9,14-17,26H,6-8,10-13H2,1H3;1H