3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenyl-hexyl)pyrrolidin-3-yl]amino]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenyl-hexyl)pyrrolidin-3-yl]amino]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenyl-hexyl)pyrrolidin-3-yl]amino]ethoxy]benzonitrile CAS Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenylhexyl)-3-pyrrolidinyl]amino]ethoxy]benzonitrile IUPAC Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenylhexyl)pyrrolidin-3-yl]amino]ethoxy]benzonitrile Traditional Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-phenyl-hexyl)pyrrolidin-3-yl]amino]ethoxy]benzonitrile Formula: C30H37N5O MolecularWeight: 483.64768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C30H37N5O/c1-25(2)30(24-33,27-10-4-3-5-11-27)14-7-16-34-18-13-28(23-34)35(17-8-15-31)19-20-36-29-12-6-9-26(21-29)22-32/h3-6,9-12,21,25,28H,7-8,13-14,16-20,23H2,1-2H3