tert-butyl N-[2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-1-phenyl-ethyl]carbamate CAS Name: N-[2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-1-phenylethyl]carbamate Traditional Name: N-[2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C33H35N5O4 MolecularWeight: 565.6621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC(C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC(C4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H35N5O4/c1-6-18-38(21-23-12-17-28-27(19-23)31(40)36-22(2)35-28)26-15-13-25(14-16-26)30(39)34-20-29(24-10-8-7-9-11-24)37-32(41)42-33(3,4)5/h1,7-17,19,29H,18,20-21H2,2-5H3,(H,34,39)(H,37,41)(H,35,36,40)