N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C18H21BrN4O MolecularWeight: 389.28954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)CC3=CN=CC=C3

InChI

InChI=1S/C18H21BrN4O/c19-16-6-1-2-7-17(16)21-18(24)23-10-4-9-22(11-12-23)14-15-5-3-8-20-13-15/h1-3,5-8,13H,4,9-12,14H2,(H,21,24)