piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yl-1,2,3-triazol-4-yl]methanone

Systemtic Name: piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yl-1,2,3-triazol-4-yl]methanone Openeye Name: [1-(4-isopropylphenyl)-5-pyrrol-1-yl-triazol-4-yl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[1-(4-propan-2-ylphenyl)-5-(1-pyrrolyl)-4-triazolyl]methanone IUPAC Name: piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone Traditional Name: (1-p-cumenyl-5-pyrrol-1-yl-triazol-4-yl)-piperidino-methanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)N4C=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCCCC3)N4C=CC=C4

InChI

InChI=1S/C21H25N5O/c1-16(2)17-8-10-18(11-9-17)26-20(24-12-6-7-13-24)19(22-23-26)21(27)25-14-4-3-5-15-25/h6-13,16H,3-5,14-15H2,1-2H3