N-(2-chloranyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide

Systemtic Name: N-(2-chloranyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide Openeye Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide CAS Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide IUPAC Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide Traditional Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)cyclohexanecarboxamide Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Cl

InChI

InChI=1S/C20H20ClN3O/c21-16-10-11-18-22-19(23-20(25)14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-24(18)13-16/h4-5,8-11,13-14H,1-3,6-7,12H2