(2S)-5-azanyl-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile

Systemtic Name: (2S)-5-azanyl-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile Openeye Name: (2S)-5-amino-2-(1H-indol-3-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile CAS Name: (2S)-5-amino-2-(1H-indol-3-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile IUPAC Name: (2S)-5-amino-2-(1H-indol-3-ylmethyl)-3-oxo-1,2-dihydropyrrole-4-carbonitrile Traditional Name: (5S)-2-amino-5-(1H-indol-3-ylmethyl)-4-keto-2-pyrroline-3-carbonitrile Formula: C14H12N4O MolecularWeight: 252.27128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)C(=C(N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)C(=C(N3)N)C#N

InChI

InChI=1S/C14H12N4O/c15-6-10-13(19)12(18-14(10)16)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,12,17-18H,5,16H2/t12-/m0/s1