2-[4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazin-1-yl]pyrrolidine-1-carbaldehyde

Systemtic Name: 2-[4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazin-1-yl]pyrrolidine-1-carbaldehyde Openeye Name: 2-[4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazin-1-yl]pyrrolidine-1-carbaldehyde CAS Name: 2-[4-[4-[(8-cyclopentyl-7-methoxy-2-quinazolinyl)amino]phenyl]-1-piperazinyl]-1-pyrrolidinecarboxaldehyde IUPAC Name: 2-[4-[4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)amino]phenyl]piperazin-1-yl]pyrrolidine-1-carbaldehyde Traditional Name: 2-[4-[4-[(8-cyclopentyl-7-methoxy-quinazolin-2-yl)amino]phenyl]piperazino]pyrrolidine-1-carbaldehyde Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCN(CC4)C5CCCN5C=O)C6CCCC6

Isomeric SMILES

COC1=C(C2=NC(=NC=C2C=C1)NC3=CC=C(C=C3)N4CCN(CC4)C5CCCN5C=O)C6CCCC6

InChI

InChI=1S/C29H36N6O2/c1-37-25-13-8-22-19-30-29(32-28(22)27(25)21-5-2-3-6-21)31-23-9-11-24(12-10-23)33-15-17-34(18-16-33)26-7-4-14-35(26)20-36/h8-13,19-21,26H,2-7,14-18H2,1H3,(H,30,31,32)