N-(cyanomethyl)-1-[3-[3-(4-piperidin-1-ylpiperidin-1-yl)phenyl]phenyl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[3-[3-(4-piperidin-1-ylpiperidin-1-yl)phenyl]phenyl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-[3-[4-(1-piperidyl)-1-piperidyl]phenyl]phenyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[3-[3-[4-(1-piperidinyl)-1-piperidinyl]phenyl]phenyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-[3-(4-piperidin-1-ylpiperidin-1-yl)phenyl]phenyl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[3-[3-(4-piperidinopiperidino)phenyl]phenyl]pipecolinamide Formula: C30H39N5O MolecularWeight: 485.66356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5CCCCC5C(=O)NCC#N

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5CCCCC5C(=O)NCC#N

InChI

InChI=1S/C30H39N5O/c31-15-16-32-30(36)29-12-2-5-19-35(29)28-11-7-9-25(23-28)24-8-6-10-27(22-24)34-20-13-26(14-21-34)33-17-3-1-4-18-33/h6-11,22-23,26,29H,1-5,12-14,16-21H2,(H,32,36)