11-(2-imidazol-1-ylethanoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate

Systemtic Name: 11-(2-imidazol-1-ylethanoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate Openeye Name: 11-(2-imidazol-1-ylacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate CAS Name: 11-[2-(1-imidazolyl)-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate IUPAC Name: 11-(2-imidazol-1-ylacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate Traditional Name: 11-(2-imidazol-1-ylacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN4C=CN=C4)N=CC=C3.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN4C=CN=C4)N=CC=C3.O

InChI

InChI=1S/C17H13N5O2.H2O/c23-15(10-21-9-8-18-11-21)22-14-6-2-1-4-12(14)17(24)20-13-5-3-7-19-16(13)22;/h1-9,11H,10H2,(H,20,24);1H2