3-phenyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one hydrate

Systemtic Name: 3-phenyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one hydrate Openeye Name: 3-phenyl-2-[(2E)-2-(3-pyridylmethylene)hydrazino]quinazolin-4-one hydrate CAS Name: 3-phenyl-2-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]-4-quinazolinone hydrate IUPAC Name: 3-phenyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one hydrate Traditional Name: 3-phenyl-2-[(N'E)-N'-(3-pyridylmethylene)hydrazino]quinazolin-4-one hydrate Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CN=CC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N/N=C/C4=CN=CC=C4.O

InChI

InChI=1S/C20H15N5O.H2O/c26-19-17-10-4-5-11-18(17)23-20(25(19)16-8-2-1-3-9-16)24-22-14-15-7-6-12-21-13-15;/h1-14H,(H,23,24);1H2/b22-14+;