tert-butyl N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-2-pyridyl]carbamate CAS Name: N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-1-pyrrolyl]-3-ethyl-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethylpyridin-2-yl]carbamate Traditional Name: N-[5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-2-pyridyl]carbamic acid tert-butyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN=C1NC(=O)OC(C)(C)C)N2C(=C(C(=C2C)C3=CC=C(C=C3)C#N)C#N)C

Isomeric SMILES

CCC1=CC(=CN=C1NC(=O)OC(C)(C)C)N2C(=C(C(=C2C)C3=CC=C(C=C3)C#N)C#N)C

InChI

InChI=1S/C26H27N5O2/c1-7-19-12-21(15-29-24(19)30-25(32)33-26(4,5)6)31-16(2)22(14-28)23(17(31)3)20-10-8-18(13-27)9-11-20/h8-12,15H,7H2,1-6H3,(H,29,30,32)