5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]carbonyl-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]carbonyl-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]-1-isobutyl-N-isopentyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-oxomethyl]-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]-N-isoamyl-1-isobutyl-4-keto-nicotinamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3)CC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3)CC(C)C

InChI

InChI=1S/C27H35N5O4/c1-18(2)9-10-28-25(34)20-16-30(15-19(3)4)17-21(24(20)33)26(35)31-11-13-32(14-12-31)27-29-22-7-5-6-8-23(22)36-27/h5-8,16-19H,9-15H2,1-4H3,(H,28,34)