N-(3-bromophenyl)-6-cyclopropyl-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine; methanoic acid

Systemtic Name: N-(3-bromophenyl)-6-cyclopropyl-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine; methanoic acid Openeye Name: N-(3-bromophenyl)-6-cyclopropyl-5-[(tetrahydropyran-4-ylmethylamino)methyl]pyridin-2-amine; formic acid CAS Name: N-(3-bromophenyl)-6-cyclopropyl-5-[(4-oxanylmethylamino)methyl]-2-pyridinamine; formic acid IUPAC Name: N-(3-bromophenyl)-6-cyclopropyl-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-amine; formic acid Traditional Name: [6-(3-bromoanilino)-2-cyclopropyl-3-pyridyl]methyl-(tetrahydropyran-4-ylmethyl)amine; formic acid Formula: C67H86Br3N9O11 MolecularWeight: 1433.16544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C(=O)O.C(=O)O.C(=O)O.C(=O)O

Isomeric SMILES

C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C1CC1C2=C(C=CC(=N2)NC3=CC(=CC=C3)Br)CNCC4CCOCC4.C(=O)O.C(=O)O.C(=O)O.C(=O)O

InChI

InChI=1S/3C21H26BrN3O.4CH2O2/c3*22-18-2-1-3-19(12-18)24-20-7-6-17(21(25-20)16-4-5-16)14-23-13-15-8-10-26-11-9-15;4*2-1-3/h3*1-3,6-7,12,15-16,23H,4-5,8-11,13-14H2,(H,24,25);4*1H,(H,2,3)