(3S,4S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CN(CC2O)CC(=CC3=CC=CC=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1[C@H]2CN(C[C@@H]2O)C/C(=C/C3=CC=CC=C3)/Cl)C4=CC=CC=N4

InChI

InChI=1S/C22H27ClN4O/c23-19(14-18-6-2-1-3-7-18)15-25-16-20(21(28)17-25)26-10-12-27(13-11-26)22-8-4-5-9-24-22/h1-9,14,20-21,28H,10-13,15-17H2/b19-14-/t20-,21-/m0/s1