N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)C

InChI

InChI=1S/C23H23N5O2/c1-14-11-15(2)28(27-14)18-9-7-16(8-10-18)23(30)26-21(22(24)29)12-17-13-25-20-6-4-3-5-19(17)20/h3-11,13,21,25H,12H2,1-2H3,(H2,24,29)(H,26,30)/t21-/m0/s1