2-azanyl-3-(1H-imidazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-amino-3-(1H-imidazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-amino-3-(1H-imidazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-amino-3-(1H-imidazol-5-yl)-1-[4-(2,3,4-trimethoxybenzyl)piperazino]propan-1-one Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C(CC3=CN=CN3)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C(CC3=CN=CN3)N)OC)OC

InChI

InChI=1S/C20H29N5O4/c1-27-17-5-4-14(18(28-2)19(17)29-3)12-24-6-8-25(9-7-24)20(26)16(21)10-15-11-22-13-23-15/h4-5,11,13,16H,6-10,12,21H2,1-3H3,(H,22,23)