4-bromanyl-N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl]benzamide Formula: C23H28BrN3O2 MolecularWeight: 458.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H28BrN3O2/c1-18-5-2-3-6-20(18)17-26-13-4-14-27(16-15-26)22(28)11-12-25-23(29)19-7-9-21(24)10-8-19/h2-3,5-10H,4,11-17H2,1H3,(H,25,29)