tert-butyl N-[[4-[[2-(dimethylamino)pyridin-3-yl]methylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[2-(dimethylamino)pyridin-3-yl]methylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[2-(dimethylamino)pyridin-3-yl]methylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(N=CC=C2)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(N=CC=C2)N(C)C

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)24-13-15-8-10-16(11-9-15)19(26)23-14-17-7-6-12-22-18(17)25(4)5/h6-12H,13-14H2,1-5H3,(H,23,26)(H,24,27)