(phenylmethyl) N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]carbamate Openeye Name: benzyl N-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]carbamate CAS Name: N-[2,6-dimethoxy-4-[1-(2-pyridinyl)-1,4-diazepan-5-yl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]carbamate Traditional Name: N-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]carbamic acid benzyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1NC(=O)OCC2=CC=CC=C2)OC)C3CCN(CCN3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=CC(=C1NC(=O)OCC2=CC=CC=C2)OC)C3CCN(CCN3)C4=CC=CC=N4

InChI

InChI=1S/C26H30N4O4/c1-32-22-16-20(21-11-14-30(15-13-27-21)24-10-6-7-12-28-24)17-23(33-2)25(22)29-26(31)34-18-19-8-4-3-5-9-19/h3-10,12,16-17,21,27H,11,13-15,18H2,1-2H3,(H,29,31)