N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-cyanopropyl)indazole-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-cyanopropyl)indazole-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-(3-cyanopropyl)indazole-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-cyanopropyl)-3-indazolecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-cyanopropyl)indazole-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-(3-cyanopropyl)indazole-3-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c22-12-6-7-13-26-18-11-5-4-10-16(18)19(25-26)21(28)24-17(20(23)27)14-15-8-2-1-3-9-15/h1-5,8-11,17H,6-7,13-14H2,(H2,23,27)(H,24,28)/t17-/m0/s1