5-chloranyl-N-[(3S)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(3S)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Openeye Name: N-[(2S)-1-benzyl-2-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide CAS Name: 5-chloro-N-[(3S)-3-hydroxy-4-(4-methyl-1-piperazinyl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide IUPAC Name: 5-chloro-N-[(3S)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Traditional Name: N-[(2S)-1-benzyl-2-hydroxy-3-keto-3-(4-methylpiperazino)propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC(=NC=C4N3)Cl)O

Isomeric SMILES

CN1CCN(CC1)C(=O)[C@H](C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC(=NC=C4N3)Cl)O

InChI

InChI=1S/C23H26ClN5O3/c1-28-7-9-29(10-8-28)23(32)21(30)17(11-15-5-3-2-4-6-15)27-22(31)18-12-16-13-20(24)25-14-19(16)26-18/h2-6,12-14,17,21,26,30H,7-11H2,1H3,(H,27,31)/t17?,21-/m0/s1