1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-chlorophenyl)butan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-chlorophenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-chlorophenyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-2-pyrrolyl]-4-(4-chlorophenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methylpyrrol-2-yl]-4-(4-chlorophenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-1-methyl-pyrrol-2-yl]-4-(4-chlorophenyl)butan-1-one Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)Cl)(CO)N

Isomeric SMILES

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)Cl)(CO)N

InChI

InChI=1S/C21H29ClN2O2/c1-3-21(23,15-25)14-13-18-11-12-19(24(18)2)20(26)6-4-5-16-7-9-17(22)10-8-16/h7-12,25H,3-6,13-15,23H2,1-2H3