N-(1-adamantylmethyl)-6-chloranyl-2-[methyl-[3-(methylamino)propyl]amino]quinoline-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-chloranyl-2-[methyl-[3-(methylamino)propyl]amino]quinoline-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-chloro-2-[methyl-[3-(methylamino)propyl]amino]quinoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-6-chloro-2-[methyl-[3-(methylamino)propyl]amino]-5-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-6-chloro-2-[methyl-[3-(methylamino)propyl]amino]quinoline-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-6-chloro-2-[methyl-[3-(methylamino)propyl]amino]quinoline-5-carboxamide Formula: C26H35ClN4O MolecularWeight: 455.0353

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN(C)C1=NC2=C(C=C1)C(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CNCCCN(C)C1=NC2=C(C=C1)C(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35ClN4O/c1-28-8-3-9-31(2)23-7-4-20-22(30-23)6-5-21(27)24(20)25(32)29-16-26-13-17-10-18(14-26)12-19(11-17)15-26/h4-7,17-19,28H,3,8-16H2,1-2H3,(H,29,32)