N-[1-(2-azanylethyl)azepan-4-yl]-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

Systemtic Name: N-[1-(2-azanylethyl)azepan-4-yl]-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine Openeye Name: N-[1-(2-aminoethyl)azepan-4-yl]-1-[(5-methyl-2-furyl)methyl]benzimidazol-2-amine CAS Name: N-[1-(2-aminoethyl)-4-azepanyl]-1-[(5-methyl-2-furanyl)methyl]-2-benzimidazolamine IUPAC Name: N-[1-(2-aminoethyl)azepan-4-yl]-1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine Traditional Name: [1-(2-aminoethyl)azepan-4-yl]-[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amine Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCN

Isomeric SMILES

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCN

InChI

InChI=1S/C21H29N5O/c1-16-8-9-18(27-16)15-26-20-7-3-2-6-19(20)24-21(26)23-17-5-4-12-25(13-10-17)14-11-22/h2-3,6-9,17H,4-5,10-15,22H2,1H3,(H,23,24)