(phenylmethyl) N-[1-(4-aminocarbonyl-2-chloranyl-1-pyridin-4-yl-cyclohexa-2,5-dien-1-yl)ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(4-aminocarbonyl-2-chloranyl-1-pyridin-4-yl-cyclohexa-2,5-dien-1-yl)ethyl]carbamate Openeye Name: benzyl N-[1-[4-carbamoyl-2-chloro-1-(4-pyridyl)cyclohexa-2,5-dien-1-yl]ethyl]carbamate CAS Name: N-[1-(4-carbamoyl-2-chloro-1-pyridin-4-yl-1-cyclohexa-2,5-dienyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(4-carbamoyl-2-chloro-1-pyridin-4-ylcyclohexa-2,5-dien-1-yl)ethyl]carbamate Traditional Name: N-[1-[4-carbamoyl-2-chloro-1-(4-pyridyl)cyclohexa-2,5-dien-1-yl]ethyl]carbamic acid benzyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C=CC(C=C1Cl)C(=O)N)C2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1(C=CC(C=C1Cl)C(=O)N)C2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15(26-21(28)29-14-16-5-3-2-4-6-16)22(18-8-11-25-12-9-18)10-7-17(20(24)27)13-19(22)23/h2-13,15,17H,14H2,1H3,(H2,24,27)(H,26,28)