1-[6-tert-butyl-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-3-(1H-indazol-4-yl)urea

Systemtic Name: 1-[6-tert-butyl-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-3-(1H-indazol-4-yl)urea Openeye Name: 1-(1-benzyl-6-tert-butyl-3,4-dihydro-2H-quinolin-3-yl)-3-(1H-indazol-4-yl)urea CAS Name: 1-[6-tert-butyl-1-(phenylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-3-(1H-indazol-4-yl)urea IUPAC Name: 1-(1-benzyl-6-tert-butyl-3,4-dihydro-2H-quinolin-3-yl)-3-(1H-indazol-4-yl)urea Traditional Name: 1-(1-benzyl-6-tert-butyl-3,4-dihydro-2H-quinolin-3-yl)-3-(1H-indazol-4-yl)urea Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(CC(C2)NC(=O)NC3=CC=CC4=C3C=NN4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(CC(C2)NC(=O)NC3=CC=CC4=C3C=NN4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c1-28(2,3)21-12-13-26-20(14-21)15-22(18-33(26)17-19-8-5-4-6-9-19)30-27(34)31-24-10-7-11-25-23(24)16-29-32-25/h4-14,16,22H,15,17-18H2,1-3H3,(H,29,32)(H2,30,31,34)