azocan-1-yl-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]methanone

Systemtic Name: azocan-1-yl-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]methanone Openeye Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(azocan-1-yl)methanone CAS Name: [1-(4-anilino-2-pyrimidinyl)-4-piperidinyl]-(1-azocanyl)methanone IUPAC Name: [1-(4-anilinopyrimidin-2-yl)piperidin-4-yl]-(azocan-1-yl)methanone Traditional Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(azocan-1-yl)methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c29-22(27-15-7-2-1-3-8-16-27)19-12-17-28(18-13-19)23-24-14-11-21(26-23)25-20-9-5-4-6-10-20/h4-6,9-11,14,19H,1-3,7-8,12-13,15-18H2,(H,24,25,26)