cyclohexyl 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: cyclohexyl 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate Openeye Name: cyclohexyl 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate CAS Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate Traditional Name: 2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-(7-methyl-1H-indazol-5-yl)propionic acid cyclohexyl ester Formula: C31H38N6O4 MolecularWeight: 558.67122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C(=O)OC3CCCCC3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C(=O)OC3CCCCC3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

InChI

InChI=1S/C31H38N6O4/c1-20-15-21(16-23-18-32-35-28(20)23)17-27(29(38)41-25-8-3-2-4-9-25)34-30(39)36-13-11-24(12-14-36)37-19-22-7-5-6-10-26(22)33-31(37)40/h5-7,10,15-16,18,24-25,27H,2-4,8-9,11-14,17,19H2,1H3,(H,32,35)(H,33,40)(H,34,39)