(phenylmethyl) 4-[5-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[5-(1,3-benzodioxole-5-carbonylamino)-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-pyridinyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(1,3-benzodioxole-5-carbonylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-(piperonyloylamino)-2-pyridyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O5/c31-25(20-7-9-22-23(15-20)35-18-34-22)28-21-8-10-24(27-16-21)29-11-4-12-30(14-13-29)26(32)33-17-19-5-2-1-3-6-19/h1-3,5-10,15-16H,4,11-14,17-18H2,(H,28,31)