N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitropyridin-2-yl)ethyl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitropyridin-2-yl)ethyl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Openeye Name: N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitro-2-pyridyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitro-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitropyridin-2-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: 4-(2-keto-1,4-dihydroquinazolin-3-yl)-N-[2-(7-methyl-1H-indazol-5-yl)-1-(4-nitro-2-pyridyl)ethyl]piperidine-1-carboxamide Formula: C29H30N8O4 MolecularWeight: 554.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C3=NC=CC(=C3)[N+](=O)[O-])NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C3=NC=CC(=C3)[N+](=O)[O-])NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

InChI

InChI=1S/C29H30N8O4/c1-18-12-19(13-21-16-31-34-27(18)21)14-26(25-15-23(37(40)41)6-9-30-25)33-28(38)35-10-7-22(8-11-35)36-17-20-4-2-3-5-24(20)32-29(36)39/h2-6,9,12-13,15-16,22,26H,7-8,10-11,14,17H2,1H3,(H,31,34)(H,32,39)(H,33,38)