N-[6-(4-chloranylphenoxy)pyridin-3-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

Systemtic Name: N-[6-(4-chloranylphenoxy)pyridin-3-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide Openeye Name: N-[6-(4-chlorophenoxy)-3-pyridyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide CAS Name: N-[6-(4-chlorophenoxy)-3-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide IUPAC Name: N-[6-(4-chlorophenoxy)pyridin-3-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide Traditional Name: N-[6-(4-chlorophenoxy)-3-pyridyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2/c23-18-5-8-20(9-6-18)28-21-10-7-19(15-24-21)25-22(27)26-13-11-16-3-1-2-4-17(16)12-14-26/h1-10,15H,11-14H2,(H,25,27)