N-[(2S)-1-(2-cyanoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

Systemtic Name: N-[(2S)-1-(2-cyanoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(2-cyanoethylamino)-2-oxo-ethyl]-7-methoxy-1-(2-morpholinoethyl)indazole-3-carboxamide CAS Name: N-[(2S)-1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]-7-methoxy-1-[2-(4-morpholinyl)ethyl]-3-indazolecarboxamide IUPAC Name: N-[(2S)-1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(2-cyanoethylamino)-2-keto-ethyl]-7-methoxy-1-(2-morpholinoethyl)indazole-3-carboxamide Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N(N=C2C(=O)NC(CC3=CC=CC=C3)C(=O)NCCC#N)CCN4CCOCC4

Isomeric SMILES

COC1=CC=CC2=C1N(N=C2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCC#N)CCN4CCOCC4

InChI

InChI=1S/C27H32N6O4/c1-36-23-10-5-9-21-24(31-33(25(21)23)14-13-32-15-17-37-18-16-32)27(35)30-22(26(34)29-12-6-11-28)19-20-7-3-2-4-8-20/h2-5,7-10,22H,6,12-19H2,1H3,(H,29,34)(H,30,35)/t22-/m0/s1