2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(phenylmethyl)amino]ethanenitrile

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(phenylmethyl)amino]ethanenitrile Openeye Name: 2-[benzyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amino]acetonitrile CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(phenylmethyl)amino]acetonitrile IUPAC Name: 2-[benzyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amino]acetonitrile Traditional Name: 2-[benzyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amino]acetonitrile Formula: C19H19ClN2O2 MolecularWeight: 342.81936

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN(CC#N)CC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN(CC#N)CC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H19ClN2O2/c20-17-11-16(12-18-19(17)24-10-4-9-23-18)14-22(8-7-21)13-15-5-2-1-3-6-15/h1-3,5-6,11-12H,4,8-10,13-14H2