N-[(2S)-3-methyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(1-phenylethylcarbamoyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(1-phenylethylcarbamoyl)propyl]-9H-$b-carboline-3-carboxamide Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-15(2)23(25(31)27-16(3)17-9-5-4-6-10-17)29-24(30)21-13-19-18-11-7-8-12-20(18)28-22(19)14-26-21/h4-16,23,28H,1-3H3,(H,27,31)(H,29,30)/t16?,23-/m0/s1