3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzenecarbonitrile Openeye Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzonitrile CAS Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzonitrile IUPAC Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzonitrile Traditional Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]benzonitrile Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18N2O/c1-13-5-2-8-16-17(9-4-10-21-18(13)16)20-15-7-3-6-14(11-15)12-19/h2-3,5-8,11,17,20H,4,9-10H2,1H3