N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-isobutyl-N-[(3S)-5-(4-methylpiperazin-1-yl)chroman-3-yl]isoxazole-3-carboxamide CAS Name: N-[(3S)-5-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-5-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-isobutyl-N-[(3S)-5-(4-methylpiperazino)chroman-3-yl]isoxazole-3-carboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NO1)C(=O)NC2CC3=C(C=CC=C3OC2)N4CCN(CC4)C

Isomeric SMILES

CC(C)CC1=CC(=NO1)C(=O)N[C@H]2CC3=C(C=CC=C3OC2)N4CCN(CC4)C

InChI

InChI=1S/C22H30N4O3/c1-15(2)11-17-13-19(24-29-17)22(27)23-16-12-18-20(5-4-6-21(18)28-14-16)26-9-7-25(3)8-10-26/h4-6,13,15-16H,7-12,14H2,1-3H3,(H,23,27)/t16-/m0/s1