N-[4-(chloromethyl)phenyl]-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-(chloromethyl)phenyl]-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-(chloromethyl)phenyl]-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-(chloromethyl)phenyl]-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-(chloromethyl)phenyl]-7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-(chloromethyl)phenyl]-7-p-phenetyl-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CCl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CCl

InChI

InChI=1S/C26H24ClNO3/c1-2-30-24-10-5-19(6-11-24)20-7-12-25-22(15-20)16-21(13-14-31-25)26(29)28-23-8-3-18(17-27)4-9-23/h3-12,15-16H,2,13-14,17H2,1H3,(H,28,29)