1-(4-methyl-2-oxidanyl-phenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone

Systemtic Name: 1-(4-methyl-2-oxidanyl-phenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone Openeye Name: 1-(2-hydroxy-4-methyl-phenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone CAS Name: 1-(2-hydroxy-4-methylphenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone IUPAC Name: 1-(2-hydroxy-4-methylphenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone Traditional Name: 1-(2-hydroxy-4-methyl-phenyl)-2-(7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)ethanone Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CC2=NCCNC(C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CC2=NCCNC(C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H22N2O2/c1-14-7-8-17(19(23)11-14)20(24)13-16-12-18(22-10-9-21-16)15-5-3-2-4-6-15/h2-8,11,18,22-23H,9-10,12-13H2,1H3