1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(3-phenylpropylamino)butan-1-ol

Systemtic Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(3-phenylpropylamino)butan-1-ol Openeye Name: 1-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(3-phenylpropylamino)butan-1-ol CAS Name: 1-[5-(1-azepanylmethyl)-2-thiophenyl]-2-(3-phenylpropylamino)-1-butanol IUPAC Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(3-phenylpropylamino)butan-1-ol Traditional Name: 1-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(3-phenylpropylamino)butan-1-ol Formula: C24H36N2OS MolecularWeight: 400.62044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(S1)CN2CCCCCC2)O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C(C1=CC=C(S1)CN2CCCCCC2)O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C24H36N2OS/c1-2-22(25-16-10-13-20-11-6-5-7-12-20)24(27)23-15-14-21(28-23)19-26-17-8-3-4-9-18-26/h5-7,11-12,14-15,22,24-25,27H,2-4,8-10,13,16-19H2,1H3