N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,4-dimethyl-benzamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3,4-dimethylbenzamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,4-dimethyl-benzamide Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCNCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)N3CCCNCC3)C)C

InChI

InChI=1S/C22H27N3O2/c1-15-5-6-18(13-16(15)2)21(26)24-20-8-7-19(14-17(20)3)22(27)25-11-4-9-23-10-12-25/h5-8,13-14,23H,4,9-12H2,1-3H3,(H,24,26)