2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)propan-1-ol chloride

Systemtic Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)propan-1-ol chloride Openeye Name: 2-(diisopentylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)propan-1-ol chloride CAS Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-yl-3-phenanthrenyl)-1-propanol chloride IUPAC Name: 2-[bis(3-methylbutyl)amino]-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)propan-1-ol chloride Traditional Name: 2-(diisoamylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)propan-1-ol chloride Formula: C31H45ClNO- MolecularWeight: 483.1481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C2=CC(=C1)C(C(C)N(CCC(C)C)CCC(C)C)O)C=CC(=C3)C(C)C.[Cl-]

Isomeric SMILES

CC1=C2C=CC3=C(C2=CC(=C1)C(C(C)N(CCC(C)C)CCC(C)C)O)C=CC(=C3)C(C)C.[Cl-]

InChI

InChI=1S/C31H45NO.ClH/c1-20(2)13-15-32(16-14-21(3)4)24(8)31(33)27-17-23(7)28-11-10-26-18-25(22(5)6)9-12-29(26)30(28)19-27;/h9-12,17-22,24,31,33H,13-16H2,1-8H3;1H/p-1