4-(2-cyanoethyl)-1-[(3-cyanophenyl)methylamino]-5-(5-methylhexyl)-3-thiophen-2-yl-pyrrolidine-3-carbonitrile

Systemtic Name: 4-(2-cyanoethyl)-1-[(3-cyanophenyl)methylamino]-5-(5-methylhexyl)-3-thiophen-2-yl-pyrrolidine-3-carbonitrile Openeye Name: 4-(2-cyanoethyl)-1-[(3-cyanophenyl)methylamino]-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidine-3-carbonitrile CAS Name: 4-(2-cyanoethyl)-1-[(3-cyanophenyl)methylamino]-5-(5-methylhexyl)-3-thiophen-2-yl-3-pyrrolidinecarbonitrile IUPAC Name: 4-(2-cyanoethyl)-1-[(3-cyanophenyl)methylamino]-5-(5-methylhexyl)-3-thiophen-2-ylpyrrolidine-3-carbonitrile Traditional Name: 1-[(3-cyanobenzyl)amino]-4-(2-cyanoethyl)-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidine-3-carbonitrile Formula: C27H33N5S MolecularWeight: 459.64942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1C(C(CN1NCC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3)CCC#N

Isomeric SMILES

CC(C)CCCCC1C(C(CN1NCC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3)CCC#N

InChI

InChI=1S/C27H33N5S/c1-21(2)8-3-4-12-25-24(11-6-14-28)27(19-30,26-13-7-15-33-26)20-32(25)31-18-23-10-5-9-22(16-23)17-29/h5,7,9-10,13,15-16,21,24-25,31H,3-4,6,8,11-12,18,20H2,1-2H3