1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-chloranyl-thiophen-2-yl]-5-phenyl-pentan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-chloranyl-thiophen-2-yl]-5-phenyl-pentan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-2-thienyl]-5-phenyl-pentan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chloro-2-thiophenyl]-5-phenyl-1-pentanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-chlorothiophen-2-yl]-5-phenylpentan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-chloro-2-thienyl]-5-phenyl-pentan-1-one Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(S1)C(=O)CCCCC2=CC=CC=C2)Cl)(CO)N

Isomeric SMILES

CCC(CCC1=C(C=C(S1)C(=O)CCCCC2=CC=CC=C2)Cl)(CO)N

InChI

InChI=1S/C21H28ClNO2S/c1-2-21(23,15-24)13-12-19-17(22)14-20(26-19)18(25)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,14,24H,2,6-7,10-13,15,23H2,1H3