tert-butyl N-[3-(3-carbamimidoylphenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(3-carbamimidoylphenyl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-carbamimidoylphenyl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(3-carbamimidoylphenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-carbamimidoylphenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(3-amidinobenzyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)NCC#N

InChI

InChI=1S/C17H23N5O3/c1-17(2,3)25-16(24)22-13(15(23)21-8-7-18)10-11-5-4-6-12(9-11)14(19)20/h4-6,9,13H,8,10H2,1-3H3,(H3,19,20)(H,21,23)(H,22,24)