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

Systemtic Name: 1-ethyl-3-[4-(phenylmethyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]carbonyl-pyridazin-3-yl]urea Openeye Name: 1-[4-benzyl-6-[(3S)-3-isopropylpiperazine-1-carbonyl]pyridazin-3-yl]-3-ethyl-urea CAS Name: 1-ethyl-3-[6-[oxo-[(3S)-3-propan-2-yl-1-piperazinyl]methyl]-4-(phenylmethyl)-3-pyridazinyl]urea IUPAC Name: 1-[4-benzyl-6-[(3S)-3-propan-2-ylpiperazine-1-carbonyl]pyridazin-3-yl]-3-ethylurea Traditional Name: 1-[4-benzyl-6-[(3S)-3-isopropylpiperazine-1-carbonyl]pyridazin-3-yl]-3-ethyl-urea Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NN=C(C=C1CC2=CC=CC=C2)C(=O)N3CCNC(C3)C(C)C

Isomeric SMILES

CCNC(=O)NC1=NN=C(C=C1CC2=CC=CC=C2)C(=O)N3CCN[C@H](C3)C(C)C

InChI

InChI=1S/C22H30N6O2/c1-4-23-22(30)25-20-17(12-16-8-6-5-7-9-16)13-18(26-27-20)21(29)28-11-10-24-19(14-28)15(2)3/h5-9,13,15,19,24H,4,10-12,14H2,1-3H3,(H2,23,25,27,30)/t19-/m1/s1