2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethylcarbamic acid

Systemtic Name: 2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethylcarbamic acid Openeye Name: 2-[4-[[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethylcarbamic acid CAS Name: 2-[4-[[1-[(5-methyl-2-furanyl)methyl]-2-benzimidazolyl]amino]-1-azepanyl]ethylcarbamic acid IUPAC Name: 2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethylcarbamic acid Traditional Name: 2-[4-[[1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethylcarbamic acid Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCNC(=O)O

Isomeric SMILES

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCNC(=O)O

InChI

InChI=1S/C22H29N5O3/c1-16-8-9-18(30-16)15-27-20-7-3-2-6-19(20)25-21(27)24-17-5-4-12-26(13-10-17)14-11-23-22(28)29/h2-3,6-9,17,23H,4-5,10-15H2,1H3,(H,24,25)(H,28,29)