N-[3-(4-isocyano-4-phenyl-piperidin-1-yl)propyl]-2-oxidanylidene-6-phenyl-piperidine-1-carboxamide

Systemtic Name: N-[3-(4-isocyano-4-phenyl-piperidin-1-yl)propyl]-2-oxidanylidene-6-phenyl-piperidine-1-carboxamide Openeye Name: N-[3-(4-isocyano-4-phenyl-1-piperidyl)propyl]-2-oxo-6-phenyl-piperidine-1-carboxamide CAS Name: N-[3-(4-isocyano-4-phenyl-1-piperidinyl)propyl]-2-oxo-6-phenyl-1-piperidinecarboxamide IUPAC Name: N-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-2-oxo-6-phenylpiperidine-1-carboxamide Traditional Name: N-[3-(4-isocyano-4-phenyl-piperidino)propyl]-2-keto-6-phenyl-piperidine-1-carboxamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1(CCN(CC1)CCCNC(=O)N2C(CCCC2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1(CCN(CC1)CCCNC(=O)N2C(CCCC2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-28-27(23-12-6-3-7-13-23)16-20-30(21-17-27)19-9-18-29-26(33)31-24(14-8-15-25(31)32)22-10-4-2-5-11-22/h2-7,10-13,24H,8-9,14-21H2,(H,29,33)