4-[3,5-bis(chloranyl)-2-methoxy-phenoxy]-1-(cyclohexen-1-ylmethyl)azepine

Systemtic Name: 4-[3,5-bis(chloranyl)-2-methoxy-phenoxy]-1-(cyclohexen-1-ylmethyl)azepine Openeye Name: 1-(cyclohexen-1-ylmethyl)-4-(3,5-dichloro-2-methoxy-phenoxy)azepine CAS Name: 1-(1-cyclohexenylmethyl)-4-(3,5-dichloro-2-methoxyphenoxy)azepine IUPAC Name: 1-(cyclohexen-1-ylmethyl)-4-(3,5-dichloro-2-methoxyphenoxy)azepine Traditional Name: 1-(cyclohexen-1-ylmethyl)-4-(3,5-dichloro-2-methoxy-phenoxy)azepine Formula: C20H21Cl2NO2 MolecularWeight: 378.29224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1OC2=CC=CN(C=C2)CC3=CCCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1OC2=CC=CN(C=C2)CC3=CCCCC3)Cl)Cl

InChI

InChI=1S/C20H21Cl2NO2/c1-24-20-18(22)12-16(21)13-19(20)25-17-8-5-10-23(11-9-17)14-15-6-3-2-4-7-15/h5-6,8-13H,2-4,7,14H2,1H3