cyclopentyl N-[1-[3-[(3-chloranyl-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate

Systemtic Name: cyclopentyl N-[1-[3-[(3-chloranyl-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate Openeye Name: cyclopentyl N-[1-[3-[(3-chloro-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate CAS Name: N-[1-[3-[[(3-chloro-4-isocyanoanilino)-oxomethyl]amino]phenyl]ethyl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[1-[3-[(3-chloro-4-isocyanophenyl)carbamoylamino]phenyl]ethyl]carbamate Traditional Name: N-[1-[3-[(3-chloro-4-isocyano-phenyl)carbamoylamino]phenyl]ethyl]carbamic acid cyclopentyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)[N+]#[C-])Cl)NC(=O)OC3CCCC3

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)[N+]#[C-])Cl)NC(=O)OC3CCCC3

InChI

InChI=1S/C22H23ClN4O3/c1-14(25-22(29)30-18-8-3-4-9-18)15-6-5-7-16(12-15)26-21(28)27-17-10-11-20(24-2)19(23)13-17/h5-7,10-14,18H,3-4,8-9H2,1H3,(H,25,29)(H2,26,27,28)