4-(7-chloranylquinolin-4-yl)-N-(3-pyrimidin-2-yloxycycloheptyl)piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(3-pyrimidin-2-yloxycycloheptyl)piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-(3-pyrimidin-2-yloxycycloheptyl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[3-(2-pyrimidinyloxy)cycloheptyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-(3-pyrimidin-2-yloxycycloheptyl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[3-(2-pyrimidyloxy)cycloheptyl]piperazine-1-carboxamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)OC5=NC=CC=N5

Isomeric SMILES

C1CCC(CC(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)OC5=NC=CC=N5

InChI

InChI=1S/C25H29ClN6O2/c26-18-6-7-21-22(16-18)27-11-8-23(21)31-12-14-32(15-13-31)25(33)30-19-4-1-2-5-20(17-19)34-24-28-9-3-10-29-24/h3,6-11,16,19-20H,1-2,4-5,12-15,17H2,(H,30,33)