N-(4-butylphenyl)-7-chloranyl-9-methoxy-1-benzoxepine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-7-chloranyl-9-methoxy-1-benzoxepine-4-carboxamide Openeye Name: N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide CAS Name: N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide Traditional Name: N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepin-4-carboxamide Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

InChI

InChI=1S/C22H22ClNO3/c1-3-4-5-15-6-8-19(9-7-15)24-22(25)16-10-11-27-21-17(12-16)13-18(23)14-20(21)26-2/h6-14H,3-5H2,1-2H3,(H,24,25)