N-[4-[[2-(4-methylpiperazin-1-yl)ethanoylamino]-phenyl-methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[4-[[2-(4-methylpiperazin-1-yl)ethanoylamino]-phenyl-methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[4-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]-phenyl-methyl]phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[4-[[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-phenylmethyl]phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[4-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]-phenylmethyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[4-[[[2-(4-methylpiperazino)acetyl]amino]-phenyl-methyl]phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC(=NO4)C5=CN=CC=C5

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC(=NO4)C5=CN=CC=C5

InChI

InChI=1S/C29H32N6O3/c1-34-14-16-35(17-15-34)20-27(36)32-28(21-6-3-2-4-7-21)22-9-11-24(12-10-22)31-29(37)26-18-25(33-38-26)23-8-5-13-30-19-23/h2-13,19,26,28H,14-18,20H2,1H3,(H,31,37)(H,32,36)