4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzenecarbonitrile Openeye Name: 4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzonitrile CAS Name: 4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzonitrile IUPAC Name: 4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzonitrile Traditional Name: 4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl]benzonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18N2O2/c1-13(15-5-3-14(12-19)4-6-15)20-16-7-8-17-18(11-16)22-10-2-9-21-17/h3-8,11,13,20H,2,9-10H2,1H3