tert-butyl N-[11-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]-11-oxidanylidene-undecyl]carbamate

Systemtic Name: tert-butyl N-[11-[4-(2-azanylquinazolin-4-yl)piperidin-1-yl]-11-oxidanylidene-undecyl]carbamate Openeye Name: tert-butyl N-[11-[4-(2-aminoquinazolin-4-yl)-1-piperidyl]-11-oxo-undecyl]carbamate CAS Name: N-[11-[4-(2-amino-4-quinazolinyl)-1-piperidinyl]-11-oxoundecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[11-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]-11-oxoundecyl]carbamate Traditional Name: N-[11-[4-(2-aminoquinazolin-4-yl)piperidino]-11-keto-undecyl]carbamic acid tert-butyl ester Formula: C29H45N5O3 MolecularWeight: 511.6993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1CCC(CC1)C2=NC(=NC3=CC=CC=C32)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1CCC(CC1)C2=NC(=NC3=CC=CC=C32)N

InChI

InChI=1S/C29H45N5O3/c1-29(2,3)37-28(36)31-19-13-9-7-5-4-6-8-10-16-25(35)34-20-17-22(18-21-34)26-23-14-11-12-15-24(23)32-27(30)33-26/h11-12,14-15,22H,4-10,13,16-21H2,1-3H3,(H,31,36)(H2,30,32,33)