1-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[6-(4-isobutylpiperazin-1-yl)-3-pyridyl]urea CAS Name: 1-[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-benzyl-3-[6-(4-isobutylpiperazino)-3-pyridyl]urea Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-17(2)16-25-10-12-26(13-11-25)20-9-8-19(15-22-20)24-21(27)23-14-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H2,23,24,27)