3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-7-methyl-1,4-benzoxazin-2-yl]benzamidine Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=C(C=C3)C)OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=C(C=C3)C)OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

InChI

InChI=1S/C28H38N4O2/c1-19-13-14-24-25(17-19)34-26(22-11-8-12-23(18-22)27(29)30)28(33)32(24)16-6-4-5-15-31-20(2)9-7-10-21(31)3/h8,11-14,17-18,20-21,26H,4-7,9-10,15-16H2,1-3H3,(H3,29,30)