N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(4-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-methylbenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-p-toluoyl-1,4-diazepane-1-carboxamide Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-16-3-7-18(8-4-16)20(26)24-11-2-12-25(14-13-24)21(27)23-15-17-5-9-19(22)10-6-17/h3-10H,2,11-15H2,1H3,(H,23,27)