(phenylmethyl) 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(1-methyl-2-benzimidazolyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c1-25-21-11-6-5-10-20(21)24-22(25)16-26-12-7-13-27(15-14-26)17-23(28)29-18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3