[4-(1-adamantyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H32N4O/c34-28(25-15-27(23-4-3-7-30-19-23)31-26-6-2-1-5-24(25)26)32-8-10-33(11-9-32)29-16-20-12-21(17-29)14-22(13-20)18-29/h1-7,15,19-22H,8-14,16-18H2