1-[1-[(1-ethylcyclooctyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]-3-prop-2-ynyl-benzimidazol-2-one

Systemtic Name: 1-[1-[(1-ethylcyclooctyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]-3-prop-2-ynyl-benzimidazol-2-one Openeye Name: 1-[1-[(1-ethylcyclooctyl)methyl]-3-(hydroxymethyl)-4-piperidyl]-3-prop-2-ynyl-benzimidazol-2-one CAS Name: 1-[1-[(1-ethylcyclooctyl)methyl]-3-(hydroxymethyl)-4-piperidinyl]-3-prop-2-ynyl-2-benzimidazolone IUPAC Name: 1-[1-[(1-ethylcyclooctyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]-3-prop-2-ynylbenzimidazol-2-one Traditional Name: 1-[1-[(1-ethylcyclooctyl)methyl]-3-methylol-4-piperidyl]-3-propargyl-benzimidazol-2-one Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCCC1)CN2CCC(C(C2)CO)N3C4=CC=CC=C4N(C3=O)CC#C

Isomeric SMILES

CCC1(CCCCCCC1)CN2CCC(C(C2)CO)N3C4=CC=CC=C4N(C3=O)CC#C

InChI

InChI=1S/C27H39N3O2/c1-3-17-29-24-12-8-9-13-25(24)30(26(29)32)23-14-18-28(19-22(23)20-31)21-27(4-2)15-10-6-5-7-11-16-27/h1,8-9,12-13,22-23,31H,4-7,10-11,14-21H2,2H3