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

Systemtic Name: tert-butyl N-[11-(2-azanyl-4-piperidin-4-yl-4H-quinazolin-1-yl)-11-oxidanylidene-undecyl]carbamate Openeye Name: tert-butyl N-[11-[2-amino-4-(4-piperidyl)-4H-quinazolin-1-yl]-11-oxo-undecyl]carbamate CAS Name: N-[11-[2-amino-4-(4-piperidinyl)-4H-quinazolin-1-yl]-11-oxoundecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[11-(2-amino-4-piperidin-4-yl-4H-quinazolin-1-yl)-11-oxoundecyl]carbamate Traditional Name: N-[11-[2-amino-4-(4-piperidyl)-4H-quinazolin-1-yl]-11-keto-undecyl]carbamic acid tert-butyl ester Formula: C29H47N5O3 MolecularWeight: 513.71518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1C2=CC=CC=C2C(N=C1N)C3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1C2=CC=CC=C2C(N=C1N)C3CCNCC3

InChI

InChI=1S/C29H47N5O3/c1-29(2,3)37-28(36)32-19-13-9-7-5-4-6-8-10-16-25(35)34-24-15-12-11-14-23(24)26(33-27(34)30)22-17-20-31-21-18-22/h11-12,14-15,22,26,31H,4-10,13,16-21H2,1-3H3,(H2,30,33)(H,32,36)