1-ethyl-3-[4-(2-methylpropyl)-6-[(3S)-3-(phenylmethyl)piperazin-1-yl]carbonyl-pyridazin-3-yl]urea

Systemtic Name: 1-ethyl-3-[4-(2-methylpropyl)-6-[(3S)-3-(phenylmethyl)piperazin-1-yl]carbonyl-pyridazin-3-yl]urea Openeye Name: 1-[6-[(3S)-3-benzylpiperazine-1-carbonyl]-4-isobutyl-pyridazin-3-yl]-3-ethyl-urea CAS Name: 1-ethyl-3-[4-(2-methylpropyl)-6-[oxo-[(3S)-3-(phenylmethyl)-1-piperazinyl]methyl]-3-pyridazinyl]urea IUPAC Name: 1-[6-[(3S)-3-benzylpiperazine-1-carbonyl]-4-(2-methylpropyl)pyridazin-3-yl]-3-ethylurea Traditional Name: 1-[6-[(3S)-3-benzylpiperazine-1-carbonyl]-4-isobutyl-pyridazin-3-yl]-3-ethyl-urea Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NN=C(C=C1CC(C)C)C(=O)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC1=NN=C(C=C1CC(C)C)C(=O)N2CCN[C@H](C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N6O2/c1-4-24-23(31)26-21-18(12-16(2)3)14-20(27-28-21)22(30)29-11-10-25-19(15-29)13-17-8-6-5-7-9-17/h5-9,14,16,19,25H,4,10-13,15H2,1-3H3,(H2,24,26,28,31)/t19-/m0/s1