N-[(4-fluorophenyl)methyl]-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(3-methylphenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-m-toluoyl-1,4-diazepane-1-carboxamide Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-16-4-2-5-18(14-16)20(26)24-10-3-11-25(13-12-24)21(27)23-15-17-6-8-19(22)9-7-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,23,27)