N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(2-fluorophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxamide Formula: C20H21ClFN3O2 MolecularWeight: 389.851043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21ClFN3O2/c21-16-6-3-5-15(13-16)14-23-20(27)25-10-4-9-24(11-12-25)19(26)17-7-1-2-8-18(17)22/h1-3,5-8,13H,4,9-12,14H2,(H,23,27)