N-(1-adamantyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]piperazine-1-carboxamide Formula: C33H41N5O3 MolecularWeight: 555.71034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H41N5O3/c1-3-41-27-10-8-26(9-11-27)38-30(34-29-7-5-4-6-28(29)31(38)39)22(2)36-12-14-37(15-13-36)32(40)35-33-19-23-16-24(20-33)18-25(17-23)21-33/h4-11,22-25H,3,12-21H2,1-2H3,(H,35,40)