(5-bromanyl-2-oxidanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-2-hydroxy-phenyl)methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-2-hydroxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-2-hydroxy-phenyl)methanone Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O2/c20-16-7-8-18(23)17(13-16)19(24)22-10-4-9-21(11-12-22)14-15-5-2-1-3-6-15/h1-3,5-8,13,23H,4,9-12,14H2