(phenylmethyl) 1,3-bis(chloranyl)-4-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 1,3-bis(chloranyl)-4-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate Openeye Name: benzyl 5,7-dichloro-8-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]tetralin-6-carboxylate CAS Name: 1,3-dichloro-4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,3-dichloro-4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate Traditional Name: 5,7-dichloro-8-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]tetralin-6-carboxylic acid benzyl ester Formula: C26H26Cl2N4O3 MolecularWeight: 513.41564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=C2Cl)C(=O)OCC3=CC=CC=C3)Cl)CCN4C=NC5=C4NC=NCC5O

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=C2Cl)C(=O)OCC3=CC=CC=C3)Cl)CCN4C=NC5=C4NC=NCC5O

InChI

InChI=1S/C26H26Cl2N4O3/c27-22-18-9-5-4-8-17(18)19(10-11-32-15-31-24-20(33)12-29-14-30-25(24)32)23(28)21(22)26(34)35-13-16-6-2-1-3-7-16/h1-3,6-7,14-15,20,33H,4-5,8-13H2,(H,29,30)