1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methyl-2-pyrrolyl]-4-(3,4-dimethylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methylpyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Formula: C22H31ClN2O2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CCC(C)(CO)N)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CCC(C)(CO)N)Cl)C

InChI

InChI=1S/C22H31ClN2O2/c1-15-8-9-17(12-16(15)2)6-5-7-21(27)20-13-18(23)19(25(20)4)10-11-22(3,24)14-26/h8-9,12-13,26H,5-7,10-11,14,24H2,1-4H3