methyl 5-tert-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-tert-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-tert-butyl-3-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]-1H-pyrrole-2-carboxylate CAS Name: 5-tert-butyl-3-[[oxo-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)-1-naphthalenyl]amino]methyl]amino]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxylate Traditional Name: 5-tert-butyl-3-[[4-[6-keto-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1)C(=O)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H31N5O4/c1-31(2,3)26-18-25(28(35-26)29(38)40-4)34-30(39)33-24-10-9-21(22-7-5-6-8-23(22)24)19-13-16-36(27(37)17-19)20-11-14-32-15-12-20/h5-12,14-15,17-18,35H,13,16H2,1-4H3,(H2,33,34,39)