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

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-chloranyl-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-1-methyl-2-pyrrolyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-chloro-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one Formula: C22H31ClN2O2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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