N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine

Systemtic Name: N-[1-(2-azanyl-3-methyl-butyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine Openeye Name: N-[1-(2-amino-3-methyl-butyl)-4-piperidyl]-1-(1-isoquinolylmethyl)benzimidazol-2-amine CAS Name: N-[1-(2-amino-3-methylbutyl)-4-piperidinyl]-1-(1-isoquinolinylmethyl)-2-benzimidazolamine IUPAC Name: N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-(isoquinolin-1-ylmethyl)benzimidazol-2-amine Traditional Name: [1-(2-amino-3-methyl-butyl)-4-piperidyl]-[1-(1-isoquinolylmethyl)benzimidazol-2-yl]amine Formula: C27H34N6 MolecularWeight: 442.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CC5=CC=CC=C54)N

Isomeric SMILES

CC(C)C(CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CC5=CC=CC=C54)N

InChI

InChI=1S/C27H34N6/c1-19(2)23(28)17-32-15-12-21(13-16-32)30-27-31-24-9-5-6-10-26(24)33(27)18-25-22-8-4-3-7-20(22)11-14-29-25/h3-11,14,19,21,23H,12-13,15-18,28H2,1-2H3,(H,30,31)