2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-cyano-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-cyano-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-cyano-N-(1-naphthylmethyl)imidazole-4-carboxamide CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-cyano-N-(1-naphthalenylmethyl)-4-imidazolecarboxamide IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-cyano-N-(naphthalen-1-ylmethyl)imidazole-4-carboxamide Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-cyano-N-(1-naphthylmethyl)imidazole-4-carboxamide Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCCC(C2)N)C#N)C(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCCC(C2)N)C#N)C(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N6O/c1-2-3-14-31-23(22(15-26)29-25(31)30-13-7-11-20(27)17-30)24(32)28-16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,20H,7,11,13-14,16-17,27H2,1H3,(H,28,32)