1-phenethyl-4-[1-(phenylmethyl)piperidin-4-yl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-phenethyl-4-[1-(phenylmethyl)piperidin-4-yl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-benzyl-4-piperidyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-phenethyl-4-[1-(phenylmethyl)-4-piperidinyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-benzylpiperidin-4-yl)-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-benzyl-4-piperidyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O2/c36-31-24-35(29-14-18-33(19-15-29)21-27-9-5-2-6-10-27)23-30(37-25-28-11-16-32-17-12-28)22-34(31)20-13-26-7-3-1-4-8-26/h1-12,16-17,29-30H,13-15,18-25H2