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

Systemtic Name: 4-(2-cyanoethyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-thiophen-2-yl-pyrrolidine-3-carbonitrile Openeye Name: 1-(benzylamino)-4-(2-cyanoethyl)-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidine-3-carbonitrile CAS Name: 4-(2-cyanoethyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-thiophen-2-yl-3-pyrrolidinecarbonitrile IUPAC Name: 1-(benzylamino)-4-(2-cyanoethyl)-5-(5-methylhexyl)-3-thiophen-2-ylpyrrolidine-3-carbonitrile Traditional Name: 1-(benzylamino)-4-(2-cyanoethyl)-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidine-3-carbonitrile Formula: C26H34N4S MolecularWeight: 434.63996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4S/c1-21(2)10-6-7-14-24-23(13-8-16-27)26(19-28,25-15-9-17-31-25)20-30(24)29-18-22-11-4-3-5-12-22/h3-5,9,11-12,15,17,21,23-24,29H,6-8,10,13-14,18,20H2,1-2H3