4-[(3-methylphenyl)methyl]-1-[2-(1-methylpyrrol-3-yl)ethanoyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-[2-(1-methylpyrrol-3-yl)ethanoyl]-1,4-diazepan-5-one Openeye Name: 1-[2-(1-methylpyrrol-3-yl)acetyl]-4-(m-tolylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-[2-(1-methyl-3-pyrrolyl)-1-oxoethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-[2-(1-methylpyrrol-3-yl)acetyl]-1,4-diazepan-5-one Traditional Name: 4-(3-methylbenzyl)-1-[2-(1-methylpyrrol-3-yl)acetyl]-1,4-diazepan-5-one Formula: C20H25N3O2 MolecularWeight: 339.4314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)CC3=CN(C=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)CC3=CN(C=C3)C

InChI

InChI=1S/C20H25N3O2/c1-16-4-3-5-17(12-16)15-23-11-10-22(9-7-19(23)24)20(25)13-18-6-8-21(2)14-18/h3-6,8,12,14H,7,9-11,13,15H2,1-2H3