4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzonitrile CAS Name: 4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzonitrile IUPAC Name: 4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzonitrile Traditional Name: 4-[5-[4-(2-dimethylaminoethyloxy)phenyl]-2,3-dihydro-1-benzoxepin-4-yl]benzonitrile Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C2=C(CCOC3=CC=CC=C32)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N2O2/c1-29(2)16-18-30-23-13-11-22(12-14-23)27-24(21-9-7-20(19-28)8-10-21)15-17-31-26-6-4-3-5-25(26)27/h3-14H,15-18H2,1-2H3