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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,5,7-trimethyl-adamantane-1-carboxamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,5,7-trimethyl-adamantane-1-carboxamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,5,7-trimethyl-1-adamantanecarboxamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,5,7-trimethyladamantane-1-carboxamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,5,7-trimethyl-adamantane-1-carboxamide Formula: C27H30IN3O MolecularWeight: 539.45107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30IN3O/c1-24-12-25(2)14-26(3,13-24)17-27(15-24,16-25)23(32)30-22-20-7-5-4-6-18(20)10-31-11-19(28)8-9-21(31)29-22/h4-9,11H,10,12-17H2,1-3H3