2-[4-[[1-(1,5-dimethylpyrrol-2-yl)benzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid

Systemtic Name: 2-[4-[[1-(1,5-dimethylpyrrol-2-yl)benzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid Openeye Name: 2-[4-[[1-(1,5-dimethylpyrrol-2-yl)benzimidazol-2-yl]amino]-1-piperidyl]ethylcarbamic acid CAS Name: 2-[4-[[1-(1,5-dimethyl-2-pyrrolyl)-2-benzimidazolyl]amino]-1-piperidinyl]ethylcarbamic acid IUPAC Name: 2-[4-[[1-(1,5-dimethylpyrrol-2-yl)benzimidazol-2-yl]amino]piperidin-1-yl]ethylcarbamic acid Traditional Name: 2-[4-[[1-(1,5-dimethylpyrrol-2-yl)benzimidazol-2-yl]amino]piperidino]ethylcarbamic acid Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CCNC(=O)O

Isomeric SMILES

CC1=CC=C(N1C)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CCNC(=O)O

InChI

InChI=1S/C21H28N6O2/c1-15-7-8-19(25(15)2)27-18-6-4-3-5-17(18)24-20(27)23-16-9-12-26(13-10-16)14-11-22-21(28)29/h3-8,16,22H,9-14H2,1-2H3,(H,23,24)(H,28,29)