3-(cyclohexylmethyl)-6-phenylazanyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-one

Systemtic Name: 3-(cyclohexylmethyl)-6-phenylazanyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-one Openeye Name: 6-anilino-3-(cyclohexylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-one CAS Name: 6-anilino-3-(cyclohexylmethyl)-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-benzimidazol-2-one IUPAC Name: 6-anilino-3-(cyclohexylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-one Traditional Name: 6-anilino-3-(cyclohexylmethyl)-5-[4-(2-pyrimidyl)piperazino]-1H-benzimidazol-2-one Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=CC(=C(C=C3NC2=O)NC4=CC=CC=C4)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CCC(CC1)CN2C3=CC(=C(C=C3NC2=O)NC4=CC=CC=C4)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C28H33N7O/c36-28-32-24-18-23(31-22-10-5-2-6-11-22)25(19-26(24)35(28)20-21-8-3-1-4-9-21)33-14-16-34(17-15-33)27-29-12-7-13-30-27/h2,5-7,10-13,18-19,21,31H,1,3-4,8-9,14-17,20H2,(H,32,36)