2-(1-adamantylamino)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1-adamantylamino)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1-adamantylamino)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone CAS Name: 2-(1-adamantylamino)-1-[5-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1-adamantylamino)-1-[5-(4-chlorobenzoyl)-1-methylpyrrol-3-yl]ethanone Traditional Name: 2-(1-adamantylamino)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O2/c1-27-14-19(9-21(27)23(29)18-2-4-20(25)5-3-18)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