N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-1-(4-cyanobutyl)indazole-3-carboxamide

Systemtic Name: N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-1-(4-cyanobutyl)indazole-3-carboxamide Openeye Name: N-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-1-(4-cyanobutyl)indazole-3-carboxamide CAS Name: N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-(4-cyanobutyl)-3-indazolecarboxamide IUPAC Name: N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-(4-cyanobutyl)indazole-3-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-phenyl-ethyl]-1-(4-cyanobutyl)indazole-3-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)NC(=O)C2=NN(C3=CC=CC=C32)CCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)N)NC(=O)C2=NN(C3=CC=CC=C32)CCCCC#N

InChI

InChI=1S/C21H21N5O2/c22-13-7-2-8-14-26-17-12-6-5-11-16(17)19(25-26)21(28)24-18(20(23)27)15-9-3-1-4-10-15/h1,3-6,9-12,18H,2,7-8,14H2,(H2,23,27)(H,24,28)/t18-/m0/s1