N'-[[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]adamantane-1-carbohydrazide Openeye Name: N'-[[2-(4-ethoxyphenyl)-1,3-dioxo-4-isoquinolylidene]methyl]adamantane-1-carbohydrazide CAS Name: N'-[[2-(4-ethoxyphenyl)-1,3-dioxo-4-isoquinolinylidene]methyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[[2-(4-ethoxyphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]adamantane-1-carbohydrazide Traditional Name: N'-[(1,3-diketo-2-p-phenetyl-4-isoquinolylidene)methyl]adamantane-1-carbohydrazide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNNC(=O)C45CC6CC(C4)CC(C6)C5)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNNC(=O)C45CC6CC(C4)CC(C6)C5)C2=O

InChI

InChI=1S/C29H31N3O4/c1-2-36-22-9-7-21(8-10-22)32-26(33)24-6-4-3-5-23(24)25(27(32)34)17-30-31-28(35)29-14-18-11-19(15-29)13-20(12-18)16-29/h3-10,17-20,30H,2,11-16H2,1H3,(H,31,35)