5-[3-cyano-6-[3-[2-cyanoethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-cyano-6-[3-[2-cyanoethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-methyl-hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[4-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-1-cyano-1-isopropyl-butyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-6-[3-[2-cyanoethyl-(phenylmethyl)amino]-1-pyrrolidinyl]-2-methylhexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[6-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-3-cyano-2-methylhexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[4-[3-[benzyl(2-cyanoethyl)amino]pyrrolidino]-1-cyano-1-isopropyl-butyl]thiophene-2-carbonitrile Formula: C27H33N5S MolecularWeight: 459.64942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CC=C2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CC=C2)(C#N)C3=CC=C(S3)C#N

InChI

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