4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[(8-cyclopentyl-7-methoxy-2-quinazolinyl)amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazine-1-carboxylic acid Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)O)C5CCCC5

Isomeric SMILES

COC1=C(C2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)O)C5CCCC5

InChI

InChI=1S/C25H29N5O3/c1-33-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-12-14-30(15-13-29)25(31)32/h6-11,16-17H,2-5,12-15H2,1H3,(H,31,32)(H,26,27,28)