4-[(3-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)carbonyl-1,4-diazepan-5-one Openeye Name: 1-(4-morpholinobenzoyl)-4-(m-tolylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-[[4-(4-morpholinyl)phenyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-(4-morpholin-4-ylbenzoyl)-1,4-diazepan-5-one Traditional Name: 4-(3-methylbenzyl)-1-(4-morpholinobenzoyl)-1,4-diazepan-5-one Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H29N3O3/c1-19-3-2-4-20(17-19)18-27-12-11-26(10-9-23(27)28)24(29)21-5-7-22(8-6-21)25-13-15-30-16-14-25/h2-8,17H,9-16,18H2,1H3