4-[[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]fluoren-9-one

Systemtic Name: 4-[[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]fluoren-9-one Openeye Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one CAS Name: 4-[[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-9-fluorenone IUPAC Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one Traditional Name: 4-[4-(3,4-dimethylbenzyl)-1,4-diazepane-1-carbonyl]fluoren-9-one Formula: C28H28N2O2 MolecularWeight: 424.53412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H28N2O2/c1-19-11-12-21(17-20(19)2)18-29-13-6-14-30(16-15-29)28(32)25-10-5-9-24-26(25)22-7-3-4-8-23(22)27(24)31/h3-5,7-12,17H,6,13-16,18H2,1-2H3