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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(6-bromanyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-(6-bromo-2-phenyl-4-quinolyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-(6-bromo-2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(6-bromo-2-phenylquinolin-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-(6-bromo-2-phenyl-4-quinolyl)methanone Formula: C30H32BrN3O MolecularWeight: 530.49858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32BrN3O/c31-24-6-7-27-25(15-24)26(16-28(32-27)23-4-2-1-3-5-23)29(35)33-8-10-34(11-9-33)30-17-20-12-21(18-30)14-22(13-20)19-30/h1-7,15-16,20-22H,8-14,17-19H2