N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide

Systemtic Name: N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide Openeye Name: N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide CAS Name: N-[1-[6-[[(1S)-1-phenylethyl]amino]-2-pyrazinyl]-5-benzimidazolyl]-3-piperidinecarboxamide IUPAC Name: N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide Traditional Name: N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]nipecotamide Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=CN=C2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCNC5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC(=CN=C2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCNC5

InChI

InChI=1S/C25H27N7O/c1-17(18-6-3-2-4-7-18)29-23-14-27-15-24(31-23)32-16-28-21-12-20(9-10-22(21)32)30-25(33)19-8-5-11-26-13-19/h2-4,6-7,9-10,12,14-17,19,26H,5,8,11,13H2,1H3,(H,29,31)(H,30,33)/t17-,19?/m0/s1