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N-[4-(cyanomethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride

N-[4-(cyanomethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride

Systemtic Name:N-[4-(cyanomethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
Openeye Name:N-[4-(cyanomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
CAS Name:N-[4-(cyanomethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride
IUPAC Name:N-[4-(cyanomethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
Traditional Name:N-[4-(cyanomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride
Formula: C26H23ClN2O2
MolecularWeight: 430.92602
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CC#N.Cl


Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CC#N.Cl


InChI

InChI=1S/C26H22N2O2.ClH/c1-18-2-6-20(7-3-18)21-8-11-25-23(16-21)17-22(13-15-30-25)26(29)28-24-9-4-19(5-10-24)12-14-27;/h2-11,16-17H,12-13,15H2,1H3,(H,28,29);1H


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