4-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylcarbonyl)-2-methyl-benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)-2-methyl-benzonitrile CAS Name: 4-[3,4-dihydro-2H-1,5-benzoxazepin-5-yl(oxo)methyl]-2-methylbenzonitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)-2-methylbenzonitrile Traditional Name: 4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)-2-methyl-benzonitrile Formula: C18H16N2O2 MolecularWeight: 292.33184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCOC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCOC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H16N2O2/c1-13-11-14(7-8-15(13)12-19)18(21)20-9-4-10-22-17-6-3-2-5-16(17)20/h2-3,5-8,11H,4,9-10H2,1H3