N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2CC=CCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]1NC(=O)C2CC=CCC2C(=O)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O2/c34-27(30-23-13-15-31(21-23)20-22-8-2-1-3-9-22)24-10-4-5-11-25(24)28(35)33-18-16-32(17-19-33)26-12-6-7-14-29-26/h1-9,12,14,23-25H,10-11,13,15-21H2,(H,30,34)/t23-,24?,25?/m0/s1