tert-butyl N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)carbamate

Systemtic Name: tert-butyl N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)carbamate Openeye Name: tert-butyl N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(3-pyridylmethyl)carbamate CAS Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(3-pyridinylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)carbamate Traditional Name: N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]-N-(3-pyridylmethyl)carbamic acid tert-butyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC4=CN=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC4=CN=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N4O4/c1-6-36-23-15-13-22(14-16-23)33-26(31-25-12-8-7-11-24(25)27(33)34)20(2)32(28(35)37-29(3,4)5)19-21-10-9-17-30-18-21/h7-18,20H,6,19H2,1-5H3