3-methyl-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]-1H-benzimidazol-2-one

Systemtic Name: 3-methyl-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]-1H-benzimidazol-2-one Openeye Name: 5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-3-methyl-1H-benzimidazol-2-one CAS Name: 3-methyl-5-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]-1H-benzimidazol-2-one IUPAC Name: 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-3-methyl-1H-benzimidazol-2-one Traditional Name: 5-[3-(4-benzylpiperidino)prop-1-ynyl]-3-methyl-1H-benzimidazol-2-one Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C#CCN3CCC(CC3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C#CCN3CCC(CC3)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C23H25N3O/c1-25-22-17-19(9-10-21(22)24-23(25)27)8-5-13-26-14-11-20(12-15-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,17,20H,11-16H2,1H3,(H,24,27)