methyl 4-[3-(1-adamantyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-yl]benzoate

Systemtic Name: methyl 4-[3-(1-adamantyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-yl]benzoate Openeye Name: methyl 4-[3-(1-adamantyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-yl]benzoate CAS Name: 4-[3-(1-adamantyl)-11-methyl-6-benzo[b][1,4]benzodiazepinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantyl)-11-methylbenzo[b][1,4]benzodiazepin-6-yl]benzoate Traditional Name: 4-[3-(1-adamantyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-yl]benzoic acid methyl ester Formula: C32H32N2O2 MolecularWeight: 476.60868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C34CC5CC(C3)CC(C5)C4)N=C(C6=CC=CC=C61)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)C34CC5CC(C3)CC(C5)C4)N=C(C6=CC=CC=C61)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C32H32N2O2/c1-34-28-6-4-3-5-26(28)30(23-7-9-24(10-8-23)31(35)36-2)33-27-16-25(11-12-29(27)34)32-17-20-13-21(18-32)15-22(14-20)19-32/h3-12,16,20-22H,13-15,17-19H2,1-2H3