[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-butoxy-4-methoxy-phenyl)methanone

Systemtic Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-butoxy-4-methoxy-phenyl)methanone Openeye Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-(3-butoxy-4-methoxy-phenyl)methanone CAS Name: [4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-(3-butoxy-4-methoxyphenyl)methanone IUPAC Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-butoxy-4-methoxyphenyl)methanone Traditional Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-(3-butoxy-4-methoxy-phenyl)methanone Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C27H32N6O3/c1-3-4-17-36-25-18-21(9-10-24(25)35-2)27(34)31-14-11-20(12-15-31)26-28-13-16-32(26)19-33-23-8-6-5-7-22(23)29-30-33/h5-10,13,16,18,20H,3-4,11-12,14-15,17,19H2,1-2H3