(3S)-1-[1,3-bis(oxidanylidene)-2-(pyridin-2-ylmethyl)isoindol-4-yl]-N-cycloheptyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1,3-bis(oxidanylidene)-2-(pyridin-2-ylmethyl)isoindol-4-yl]-N-cycloheptyl-piperidine-3-carboxamide Openeye Name: (3S)-N-cycloheptyl-1-[1,3-dioxo-2-(2-pyridylmethyl)isoindolin-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cycloheptyl-1-[1,3-dioxo-2-(2-pyridinylmethyl)-4-isoindolyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cycloheptyl-1-[1,3-dioxo-2-(pyridin-2-ylmethyl)isoindol-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cycloheptyl-1-[1,3-diketo-2-(2-pyridylmethyl)isoindolin-4-yl]nipecotamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@H]2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O3/c32-25(29-20-10-3-1-2-4-11-20)19-9-8-16-30(17-19)23-14-7-13-22-24(23)27(34)31(26(22)33)18-21-12-5-6-15-28-21/h5-7,12-15,19-20H,1-4,8-11,16-18H2,(H,29,32)/t19-/m0/s1