[1-[N-cyano-C-(4-methylpiperazin-1-yl)carbonimidoyl]azetidin-3-yl] N-(2-cyanophenyl)carbamate

Systemtic Name: [1-[N-cyano-C-(4-methylpiperazin-1-yl)carbonimidoyl]azetidin-3-yl] N-(2-cyanophenyl)carbamate Openeye Name: [1-[N-cyano-C-(4-methylpiperazin-1-yl)carbonimidoyl]azetidin-3-yl] N-(2-cyanophenyl)carbamate CAS Name: N-(2-cyanophenyl)carbamic acid [1-[cyanoimino-(4-methyl-1-piperazinyl)methyl]-3-azetidinyl] ester IUPAC Name: [1-[N-cyano-C-(4-methylpiperazin-1-yl)carbonimidoyl]azetidin-3-yl] N-(2-cyanophenyl)carbamate Traditional Name: N-(2-cyanophenyl)carbamic acid [1-[N-cyano-C-(4-methylpiperazino)carbonimidoyl]azetidin-3-yl] ester Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC#N)N2CC(C2)OC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CN1CCN(CC1)C(=NC#N)N2CC(C2)OC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H21N7O2/c1-23-6-8-24(9-7-23)17(21-13-20)25-11-15(12-25)27-18(26)22-16-5-3-2-4-14(16)10-19/h2-5,15H,6-9,11-12H2,1H3,(H,22,26)