6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-N-(3-pyridylmethyl)nicotinamide Formula: C28H27BrN4O2 MolecularWeight: 531.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H27BrN4O2/c1-2-33(19-24-15-25(29)11-12-26(24)35-20-21-7-4-3-5-8-21)27-13-10-23(18-31-27)28(34)32-17-22-9-6-14-30-16-22/h3-16,18H,2,17,19-20H2,1H3,(H,32,34)