2,3-bis[4,5-bis(azanyl)pyrazol-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 2,3-bis[4,5-bis(azanyl)pyrazol-1-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2,3-bis(4,5-diaminopyrazol-1-yl)propanamide CAS Name: 2,3-bis(4,5-diamino-1-pyrazolyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2,3-bis(4,5-diaminopyrazol-1-yl)propanamide Traditional Name: N-benzyl-2,3-bis(4,5-diaminopyrazol-1-yl)propionamide Formula: C16H21N9O MolecularWeight: 355.39764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CN2C(=C(C=N2)N)N)N3C(=C(C=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CN2C(=C(C=N2)N)N)N3C(=C(C=N3)N)N

InChI

InChI=1S/C16H21N9O/c17-11-7-22-24(14(11)19)9-13(25-15(20)12(18)8-23-25)16(26)21-6-10-4-2-1-3-5-10/h1-5,7-8,13H,6,9,17-20H2,(H,21,26)