1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methyl-2-pyrrolyl]-5-phenyl-1-pentanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methylpyrrol-2-yl]-5-phenylpentan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(N1C)C(=O)CCCCC2=CC=CC=C2)Cl)(CO)N

Isomeric SMILES

CC(CCC1=C(C=C(N1C)C(=O)CCCCC2=CC=CC=C2)Cl)(CO)N

InChI

InChI=1S/C21H29ClN2O2/c1-21(23,15-25)13-12-18-17(22)14-19(24(18)2)20(26)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,14,25H,6-7,10-13,15,23H2,1-2H3