5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide hydrate

Systemtic Name: 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide hydrate Openeye Name: 5-(1-methylpyrrol-2-yl)-N-[(E)-3-pyridylmethyleneamino]pyrazolidine-3-carboxamide hydrate CAS Name: 5-(1-methyl-2-pyrrolyl)-N-[(E)-3-pyridinylmethylideneamino]-3-pyrazolidinecarboxamide hydrate IUPAC Name: 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide hydrate Traditional Name: 5-(1-methylpyrrol-2-yl)-N-[(E)-3-pyridylmethyleneamino]pyrazolidine-3-carboxamide hydrate Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CC(NN2)C(=O)NN=CC3=CN=CC=C3.O

Isomeric SMILES

CN1C=CC=C1C2CC(NN2)C(=O)N/N=C/C3=CN=CC=C3.O

InChI

InChI=1S/C15H18N6O.H2O/c1-21-7-3-5-14(21)12-8-13(19-18-12)15(22)20-17-10-11-4-2-6-16-9-11;/h2-7,9-10,12-13,18-19H,8H2,1H3,(H,20,22);1H2/b17-10+;