6-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: 6-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-N-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-N-(3-phenylpropyl)nicotinamide Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H29BrN4O3/c1-35-22-10-11-24(28)23(18-22)27(34)32-16-14-31(15-17-32)25-12-9-21(19-30-25)26(33)29-13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19H,5,8,13-17H2,1H3,(H,29,33)