5-azanyl-N-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide

Systemtic Name: 5-azanyl-N-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Openeye Name: 5-amino-N-(4-pyridyl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide CAS Name: 5-amino-N-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide IUPAC Name: 5-amino-N-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Traditional Name: 5-amino-N-(4-pyridyl)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)C(=O)NC3=CC=NC=C3)SC1)N

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)C(=O)NC3=CC=NC=C3)SC1)N

InChI

InChI=1S/C16H17N3OS/c17-14-2-1-9-21-15-10-11(3-4-13(14)15)16(20)19-12-5-7-18-8-6-12/h3-8,10,14H,1-2,9,17H2,(H,18,19,20)