dimethyl 7-tert-butyl-1,3-bis(dimethylamino)cyclopenta[c]azepine-4,5-dicarboxylate

Systemtic Name: dimethyl 7-tert-butyl-1,3-bis(dimethylamino)cyclopenta[c]azepine-4,5-dicarboxylate Openeye Name: dimethyl 7-tert-butyl-1,3-bis(dimethylamino)cyclopenta[c]azepine-4,5-dicarboxylate CAS Name: 7-tert-butyl-1,3-bis(dimethylamino)cyclopenta[c]azepine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-tert-butyl-1,3-bis(dimethylamino)cyclopenta[c]azepine-4,5-dicarboxylate Traditional Name: 7-tert-butyl-1,3-bis(dimethylamino)cyclopent[c]azepine-4,5-dicarboxylic acid dimethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(N=C(C(=C(C2=C1)C(=O)OC)C(=O)OC)N(C)C)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(N=C(C(=C(C2=C1)C(=O)OC)C(=O)OC)N(C)C)N(C)C

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)12-10-13-14(11-12)17(23(4)5)22-18(24(6)7)16(20(26)28-9)15(13)19(25)27-8/h10-11H,1-9H3