1-(1,3-benzothiazol-2-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine CAS Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidinamine IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine Traditional Name: [1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]amine Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCCN(C2)C3=NC4=CC=CC=C4S3)CN5C=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCCN(C2)C3=NC4=CC=CC=C4S3)CN5C=CC=N5

InChI

InChI=1S/C24H27N5OS/c1-30-22-10-9-18(14-19(22)16-29-13-5-11-26-29)15-25-20-6-4-12-28(17-20)24-27-21-7-2-3-8-23(21)31-24/h2-3,5,7-11,13-14,20,25H,4,6,12,15-17H2,1H3