N-(2-methylpropyl)-5-(1-methylpyrrol-2-yl)-N-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-(1-methylpyrrol-2-yl)-N-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide Openeye Name: N-isobutyl-5-(1-methylpyrrol-2-yl)-N-[3-oxo-3-(4-pyridylmethylamino)propyl]isoxazole-3-carboxamide CAS Name: N-(2-methylpropyl)-5-(1-methyl-2-pyrrolyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-3-isoxazolecarboxamide IUPAC Name: N-(2-methylpropyl)-5-(1-methylpyrrol-2-yl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-N-[3-keto-3-(4-pyridylmethylamino)propyl]-5-(1-methylpyrrol-2-yl)isoxazole-3-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)NCC1=CC=NC=C1)C(=O)C2=NOC(=C2)C3=CC=CN3C

Isomeric SMILES

CC(C)CN(CCC(=O)NCC1=CC=NC=C1)C(=O)C2=NOC(=C2)C3=CC=CN3C

InChI

InChI=1S/C22H27N5O3/c1-16(2)15-27(12-8-21(28)24-14-17-6-9-23-10-7-17)22(29)18-13-20(30-25-18)19-5-4-11-26(19)3/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,24,28)