5-chloranyl-N-[(2S)-1-oxidanylidene-1-(3-oxidanylpropylamino)-3-phenyl-propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S)-1-oxidanylidene-1-(3-oxidanylpropylamino)-3-phenyl-propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(3-hydroxypropylamino)-2-oxo-ethyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide CAS Name: 5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide IUPAC Name: 5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(3-hydroxypropylamino)-2-keto-ethyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)C2=CC3=CC(=NC=C3N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCO)NC(=O)C2=CC3=CC(=NC=C3N2)Cl

InChI

InChI=1S/C20H21ClN4O3/c21-18-11-14-10-16(24-17(14)12-23-18)20(28)25-15(19(27)22-7-4-8-26)9-13-5-2-1-3-6-13/h1-3,5-6,10-12,15,24,26H,4,7-9H2,(H,22,27)(H,25,28)/t15-/m0/s1