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

Systemtic Name: N-[(4-bromophenyl)carbamoyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(4-bromophenyl)carbamoyl]acetamide CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(4-bromophenyl)carbamoyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(4-bromophenyl)carbamoyl]acetamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c22-18-7-9-19(10-8-18)23-21(28)24-20(27)16-26-12-4-11-25(13-14-26)15-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H2,23,24,27,28)