2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-isopropyl-pyrrolidine-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-isopropyl-pyrrolidine-3-carbonyl]piperazino]benzonitrile Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)N1C[C@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O/c1-18(2)30-16-22(19-7-9-21(26)10-8-19)23(17-30)25(31)29-13-11-28(12-14-29)24-6-4-3-5-20(24)15-27/h3-10,18,22-23H,11-14,16-17H2,1-2H3/t22-,23+/m0/s1