1-[5-[2-(azepan-1-ylmethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[5-[2-(azepan-1-ylmethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[5-[2-(azepan-1-ylmethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid CAS Name: 1-[5-[2-(1-azepanylmethyl)-1-pyrrolyl]-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[2-(azepan-1-ylmethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[2-(azepan-1-ylmethyl)pyrrol-1-yl]-1,3,4-thiadiazol-2-yl]nipecotic acid Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=CN2C3=NN=C(S3)N4CCCC(C4)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC=CN2C3=NN=C(S3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C19H27N5O2S/c25-17(26)15-7-5-11-23(13-15)18-20-21-19(27-18)24-12-6-8-16(24)14-22-9-3-1-2-4-10-22/h6,8,12,15H,1-5,7,9-11,13-14H2,(H,25,26)