phenethylcarbamoyl N-[3-(cyanomethyl)-1H-indol-5-yl]carbamate

Systemtic Name: phenethylcarbamoyl N-[3-(cyanomethyl)-1H-indol-5-yl]carbamate Openeye Name: phenethylcarbamoyl N-[3-(cyanomethyl)-1H-indol-5-yl]carbamate CAS Name: N-[3-(cyanomethyl)-1H-indol-5-yl]carbamic acid [oxo-(phenethylamino)methyl] ester IUPAC Name: phenethylcarbamoyl N-[3-(cyanomethyl)-1H-indol-5-yl]carbamate Traditional Name: N-[3-(cyanomethyl)-1H-indol-5-yl]carbamic acid phenethylcarbamoyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)OC(=O)NC2=CC3=C(C=C2)NC=C3CC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)OC(=O)NC2=CC3=C(C=C2)NC=C3CC#N

InChI

InChI=1S/C20H18N4O3/c21-10-8-15-13-23-18-7-6-16(12-17(15)18)24-20(26)27-19(25)22-11-9-14-4-2-1-3-5-14/h1-7,12-13,23H,8-9,11H2,(H,22,25)(H,24,26)