N-[(4-bromophenyl)carbamoyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[(4-bromophenyl)carbamoyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[(4-bromophenyl)carbamoyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[(4-bromophenyl)carbamoyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-[(4-bromophenyl)carbamoyl]-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC(=O)NC2=CC=C(C=C2)Br)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC(=O)NC2=CC=C(C=C2)Br)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24BrN5O2/c23-19-6-8-20(9-7-19)25-22(30)26-21(29)16-28-11-1-10-27(12-13-28)15-18-4-2-17(14-24)3-5-18/h2-9H,1,10-13,15-16H2,(H2,25,26,29,30)