5-azanyl-2-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 5-azanyl-2-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: 5-amino-N-benzyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-benzamide CAS Name: 5-amino-2-[4-[(2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: 5-amino-N-benzyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methylbenzamide Traditional Name: 5-amino-N-benzyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methyl-benzamide Formula: C27H29FN4O2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N)N3CCCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N)N3CCCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN4O2/c1-30(19-20-8-3-2-4-9-20)26(33)23-18-21(29)12-13-25(23)31-14-7-15-32(17-16-31)27(34)22-10-5-6-11-24(22)28/h2-6,8-13,18H,7,14-17,19,29H2,1H3