3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-chloranyl-2-pyridin-3-yl-benzamide hydrate

Systemtic Name: 3-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-chloranyl-2-pyridin-3-yl-benzamide hydrate Openeye Name: 3-[(2-amino-2-oxo-ethyl)amino]-4-chloro-2-(3-pyridyl)benzamide hydrate CAS Name: 3-[(2-amino-2-oxoethyl)amino]-4-chloro-2-(3-pyridinyl)benzamide hydrate IUPAC Name: 3-[(2-amino-2-oxoethyl)amino]-4-chloro-2-pyridin-3-ylbenzamide hydrate Traditional Name: 3-[(2-amino-2-keto-ethyl)amino]-4-chloro-2-(3-pyridyl)benzamide hydrate Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C=CC(=C2NCC(=O)N)Cl)C(=O)N.O

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C=CC(=C2NCC(=O)N)Cl)C(=O)N.O

InChI

InChI=1S/C14H13ClN4O2.H2O/c15-10-4-3-9(14(17)21)12(8-2-1-5-18-6-8)13(10)19-7-11(16)20;/h1-6,19H,7H2,(H2,16,20)(H2,17,21);1H2