(4-ethenylpiperidin-1-yl) 5-but-3-enyl-7-ethoxy-4-[(4-ethylphenyl)-methyl-amino]-8-methyl-quinazoline-6-carboxylate

Systemtic Name: (4-ethenylpiperidin-1-yl) 5-but-3-enyl-7-ethoxy-4-[(4-ethylphenyl)-methyl-amino]-8-methyl-quinazoline-6-carboxylate Openeye Name: (4-vinyl-1-piperidyl) 5-but-3-enyl-7-ethoxy-4-(4-ethyl-N-methyl-anilino)-8-methyl-quinazoline-6-carboxylate CAS Name: 5-but-3-enyl-7-ethoxy-4-(4-ethyl-N-methylanilino)-8-methyl-6-quinazolinecarboxylic acid (4-ethenyl-1-piperidinyl) ester IUPAC Name: (4-ethenylpiperidin-1-yl) 5-but-3-enyl-7-ethoxy-4-(4-ethyl-N-methylanilino)-8-methylquinazoline-6-carboxylate Traditional Name: 5-but-3-enyl-7-ethoxy-4-(4-ethyl-N-methyl-anilino)-8-methyl-quinazoline-6-carboxylic acid (4-vinylpiperidino) ester Formula: C32H40N4O3 MolecularWeight: 528.685

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C)C2=NC=NC3=C(C(=C(C(=C32)CCC=C)C(=O)ON4CCC(CC4)C=C)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C)C2=NC=NC3=C(C(=C(C(=C32)CCC=C)C(=O)ON4CCC(CC4)C=C)OCC)C

InChI

InChI=1S/C32H40N4O3/c1-7-11-12-26-27-29(33-21-34-31(27)35(6)25-15-13-23(8-2)14-16-25)22(5)30(38-10-4)28(26)32(37)39-36-19-17-24(9-3)18-20-36/h7,9,13-16,21,24H,1,3,8,10-12,17-20H2,2,4-6H3