tert-butyl N-[4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C25H30N6O3/c1-25(2,3)34-24(33)27-18-10-8-17(9-11-18)23(32)31-14-12-30(13-15-31)16-21-28-20-7-5-4-6-19(20)22(26)29-21/h4-11H,12-16H2,1-3H3,(H,27,33)(H2,26,28,29)