N-[4-azanyl-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxidanylidene-pentyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-azanyl-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxidanylidene-pentyl]quinoxaline-2-carboxamide Openeye Name: N-[4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxo-pentyl]quinoxaline-2-carboxamide CAS Name: N-[4-amino-5-[(2S)-2-cyano-1-pyrrolidinyl]-5-oxopentyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentyl]quinoxaline-2-carboxamide Traditional Name: N-[4-amino-5-[(2S)-2-cyanopyrrolidino]-5-keto-pentyl]quinoxaline-2-carboxamide Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCNC(=O)C2=NC3=CC=CC=C3N=C2)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CCCNC(=O)C2=NC3=CC=CC=C3N=C2)N)C#N

InChI

InChI=1S/C19H22N6O2/c20-11-13-5-4-10-25(13)19(27)14(21)6-3-9-22-18(26)17-12-23-15-7-1-2-8-16(15)24-17/h1-2,7-8,12-14H,3-6,9-10,21H2,(H,22,26)/t13-,14?/m0/s1