7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate Openeye Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate Traditional Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; titanium; tetrahydrate Formula: C16H21ClN2O5Ti MolecularWeight: 404.66834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.O.O.O.O.[Ti]

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.O.O.O.O.[Ti]

InChI

InChI=1S/C16H13ClN2O.4H2O.Ti/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;;;;;/h2-9H,10H2,1H3;4*1H2;