tert-butyl N-[5-chloranyl-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamate

Systemtic Name: tert-butyl N-[5-chloranyl-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamate Openeye Name: tert-butyl N-[5-chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamate CAS Name: N-[5-chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamate Traditional Name: N-[5-chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]carbamic acid tert-butyl ester Formula: C17H23ClN4O3 MolecularWeight: 366.84252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C2C(=CC(=C1)Cl)N=C(O2)N3CCCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C2C(=CC(=C1)Cl)N=C(O2)N3CCCNCC3

InChI

InChI=1S/C17H23ClN4O3/c1-17(2,3)25-16(23)21-13-10-11(18)9-12-14(13)24-15(20-12)22-7-4-5-19-6-8-22/h9-10,19H,4-8H2,1-3H3,(H,21,23)