ethyl 2-[bis[(4-cyanophenyl)methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate

Systemtic Name: ethyl 2-[bis[(4-cyanophenyl)methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate Openeye Name: ethyl 2-[bis[(4-cyanophenyl)methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate CAS Name: 2-[[bis[(4-cyanophenyl)methyl]amino]-oxomethyl]-1-butyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis[(4-cyanophenyl)methyl]carbamoyl]-1-butylaziridine-2-carboxylate Traditional Name: 2-[bis(4-cyanobenzyl)carbamoyl]-1-butyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC1(C(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C#N)C(=O)OCC

Isomeric SMILES

CCCCN1CC1(C(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C#N)C(=O)OCC

InChI

InChI=1S/C26H28N4O3/c1-3-5-14-30-19-26(30,25(32)33-4-2)24(31)29(17-22-10-6-20(15-27)7-11-22)18-23-12-8-21(16-28)9-13-23/h6-13H,3-5,14,17-19H2,1-2H3