tert-butyl N-[[2-[bis(azanyl)methylidenecarbamoyl]-1-methyl-indol-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-[bis(azanyl)methylidenecarbamoyl]-1-methyl-indol-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-(diaminomethylenecarbamoyl)-1-methyl-indol-4-yl]methyl]carbamate CAS Name: N-[[2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-4-indolyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(diaminomethylidenecarbamoyl)-1-methylindol-4-yl]methyl]carbamate Traditional Name: N-[[2-(diaminomethylenecarbamoyl)-1-methyl-indol-4-yl]methyl]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)NCC1=C2C=C(N(C2=CC=C1)C)C(=O)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C2C=C(N(C2=CC=C1)C)C(=O)N=C(N)N

InChI

InChI=1S/C17H23N5O3/c1-17(2,3)25-16(24)20-9-10-6-5-7-12-11(10)8-13(22(12)4)14(23)21-15(18)19/h5-8H,9H2,1-4H3,(H,20,24)(H4,18,19,21,23)