N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]-9H-$b-carboline-3-carboxamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O2/c1-13(20(27)24-11-14-6-8-22-9-7-14)25-21(28)18-10-16-15-4-2-3-5-17(15)26-19(16)12-23-18/h2-10,12-13,26H,11H2,1H3,(H,24,27)(H,25,28)/t13-/m0/s1