N4-[(4-fluorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide

Systemtic Name: N4-[(4-fluorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Openeye Name: N4-[(4-fluorophenyl)methyl]-N1-(m-tolyl)-1,4-diazepane-1,4-dicarboxamide CAS Name: N4-[(4-fluorophenyl)methyl]-N1-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide IUPAC Name: 4-N-[(4-fluorophenyl)methyl]-1-N-(3-methylphenyl)-1,4-diazepane-1,4-dicarboxamide Traditional Name: N'-(4-fluorobenzyl)-N-(m-tolyl)-1,4-diazepane-1,4-dicarboxamide Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2/c1-16-4-2-5-19(14-16)24-21(28)26-11-3-10-25(12-13-26)20(27)23-15-17-6-8-18(22)9-7-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,23,27)(H,24,28)