1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-3-[2-(pyrimidin-2-ylamino)ethyl]benzimidazol-2-one

Systemtic Name: 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-3-[2-(pyrimidin-2-ylamino)ethyl]benzimidazol-2-one Openeye Name: 1-[1-(1-phenylcycloheptyl)-4-piperidyl]-3-[2-(pyrimidin-2-ylamino)ethyl]benzimidazol-2-one CAS Name: 1-[1-(1-phenylcycloheptyl)-4-piperidinyl]-3-[2-(2-pyrimidinylamino)ethyl]-2-benzimidazolone IUPAC Name: 1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-3-[2-(pyrimidin-2-ylamino)ethyl]benzimidazol-2-one Traditional Name: 1-[1-(1-phenylcycloheptyl)-4-piperidyl]-3-[2-(2-pyrimidylamino)ethyl]benzimidazol-2-one Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCNC6=NC=CC=N6

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCNC6=NC=CC=N6

InChI

InChI=1S/C31H38N6O/c38-30-36(24-21-34-29-32-19-10-20-33-29)27-13-6-7-14-28(27)37(30)26-15-22-35(23-16-26)31(17-8-1-2-9-18-31)25-11-4-3-5-12-25/h3-7,10-14,19-20,26H,1-2,8-9,15-18,21-24H2,(H,32,33,34)