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

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(3-pyridin-2-yloxycycloheptyl)piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[3-(2-pyridyloxy)cycloheptyl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[3-(2-pyridinyloxy)cycloheptyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-(3-pyridin-2-yloxycycloheptyl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[3-(2-pyridyloxy)cycloheptyl]piperazine-1-carboxamide Formula: C26H30ClN5O2 MolecularWeight: 480.0017

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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=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN5O2/c27-19-8-9-22-23(17-19)28-12-10-24(22)31-13-15-32(16-14-31)26(33)30-20-5-1-2-6-21(18-20)34-25-7-3-4-11-29-25/h3-4,7-12,17,20-21H,1-2,5-6,13-16,18H2,(H,30,33)