5-bromanyl-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide

Systemtic Name: 5-bromanyl-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide Openeye Name: 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide CAS Name: 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide IUPAC Name: 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide Traditional Name: 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-4-(methylamino)benzamide Formula: C17H27BrN4O2 MolecularWeight: 399.32588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC(C1)NC(=O)C2=CC(=C(C=C2OC)NC)Br)C

Isomeric SMILES

CCN1CCN(C[C@@H](C1)NC(=O)C2=CC(=C(C=C2OC)NC)Br)C

InChI

InChI=1S/C17H27BrN4O2/c1-5-22-7-6-21(3)10-12(11-22)20-17(23)13-8-14(18)15(19-2)9-16(13)24-4/h8-9,12,19H,5-7,10-11H2,1-4H3,(H,20,23)/t12-/m0/s1