6-(azepan-1-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)nicotinamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(17-10-11-18(22-15-17)26-12-6-1-2-7-13-26)23-21-25-24-19(28-21)14-16-8-4-3-5-9-16/h3-5,8-11,15H,1-2,6-7,12-14H2,(H,23,25,27)