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

Systemtic Name: 4-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]pyrrolidine-3-carbonitrile Openeye Name: 1-(benzylamino)-4-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)pyrrolidine-3-carbonitrile CAS Name: 4-(2-cyanoethyl)-3-(5-cyano-2-thiophenyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-pyrrolidinecarbonitrile IUPAC Name: 1-(benzylamino)-4-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)pyrrolidine-3-carbonitrile Traditional Name: 1-(benzylamino)-4-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)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)C3=CC=C(S3)C#N)CCC#N

Isomeric SMILES

CC(C)CCCCC1C(C(CN1NCC2=CC=CC=C2)(C#N)C3=CC=C(S3)C#N)CCC#N

InChI

InChI=1S/C27H33N5S/c1-21(2)9-6-7-13-25-24(12-8-16-28)27(19-30,26-15-14-23(17-29)33-26)20-32(25)31-18-22-10-4-3-5-11-22/h3-5,10-11,14-15,21,24-25,31H,6-9,12-13,18,20H2,1-2H3