[4-(1-adamantyl)piperazin-1-yl]-(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[6-bromo-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(6-bromo-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-[6-bromo-2-(2-pyridyl)-4-quinolyl]methanone Formula: C29H31BrN4O MolecularWeight: 531.48664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H31BrN4O/c30-22-4-5-25-23(14-22)24(15-27(32-25)26-3-1-2-6-31-26)28(35)33-7-9-34(10-8-33)29-16-19-11-20(17-29)13-21(12-19)18-29/h1-6,14-15,19-21H,7-13,16-18H2