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

Systemtic Name: N-(2-bromophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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