[4-(1-adamantyl)piperazin-1-yl]-(7-chloranyl-8-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(7-chloranyl-8-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[7-chloro-8-methyl-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-(7-chloro-8-methyl-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(7-chloro-8-methyl-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-[7-chloro-8-methyl-2-(4-pyridyl)-4-quinolyl]methanone Formula: C30H33ClN4O MolecularWeight: 501.06222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)C7=CC=NC=C7)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5)C7=CC=NC=C7)Cl

InChI

InChI=1S/C30H33ClN4O/c1-19-26(31)3-2-24-25(15-27(33-28(19)24)23-4-6-32-7-5-23)29(36)34-8-10-35(11-9-34)30-16-20-12-21(17-30)14-22(13-20)18-30/h2-7,15,20-22H,8-14,16-18H2,1H3