4-[(3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]butanoyl]-3-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]butanoyl]-3-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: 4-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]-3-benzyl-1,4-diazepan-2-one CAS Name: 4-[(3R)-3-amino-4-(3,4-difluorophenyl)-1-oxobutyl]-3-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]-3-benzyl-1,4-diazepan-2-one Traditional Name: 4-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]-3-benzyl-1,4-diazepan-2-one Formula: C22H25F2N3O2 MolecularWeight: 401.449606

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(N(C1)C(=O)CC(CC2=CC(=C(C=C2)F)F)N)CC3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)C(N(C1)C(=O)C[C@@H](CC2=CC(=C(C=C2)F)F)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H25F2N3O2/c23-18-8-7-16(12-19(18)24)11-17(25)14-21(28)27-10-4-9-26-22(29)20(27)13-15-5-2-1-3-6-15/h1-3,5-8,12,17,20H,4,9-11,13-14,25H2,(H,26,29)/t17-,20?/m1/s1