tert-butyl N-[4-phenylazanyl-4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butyl]carbamate

Systemtic Name: tert-butyl N-[4-phenylazanyl-4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butyl]carbamate Openeye Name: tert-butyl N-[4-anilino-4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]butyl]carbamate CAS Name: N-[4-anilino-4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-anilino-4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butyl]carbamate Traditional Name: N-[4-anilino-4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]butyl]carbamic acid tert-butyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(C1=NC(=NN1)C2=CC=NC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(C1=NC(=NN1)C2=CC=NC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N6O2/c1-22(2,3)30-21(29)24-13-7-10-18(25-17-8-5-4-6-9-17)20-26-19(27-28-20)16-11-14-23-15-12-16/h4-6,8-9,11-12,14-15,18,25H,7,10,13H2,1-3H3,(H,24,29)(H,26,27,28)