3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide

Systemtic Name: 3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Openeye Name: 3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide CAS Name: 3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-adamantanecarboxamide IUPAC Name: 3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Traditional Name: 3,5,7-trimethyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)N=C4C5=CC=CC=C5CN6C=CC=CC6=N4)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)N=C4C5=CC=CC=C5CN6C=CC=CC6=N4)C)C

InChI

InChI=1S/C27H31N3O/c1-24-13-25(2)15-26(3,14-24)18-27(16-24,17-25)23(31)29-22-20-9-5-4-8-19(20)12-30-11-7-6-10-21(30)28-22/h4-11H,12-18H2,1-3H3