1-[2-[4-(aminomethyl)naphthalen-2-yl]-5-tert-butyl-pyrazol-3-yl]-3-(3-cyanophenyl)urea

Systemtic Name: 1-[2-[4-(aminomethyl)naphthalen-2-yl]-5-tert-butyl-pyrazol-3-yl]-3-(3-cyanophenyl)urea Openeye Name: 1-[2-[4-(aminomethyl)-2-naphthyl]-5-tert-butyl-pyrazol-3-yl]-3-(3-cyanophenyl)urea CAS Name: 1-[2-[4-(aminomethyl)-2-naphthalenyl]-5-tert-butyl-3-pyrazolyl]-3-(3-cyanophenyl)urea IUPAC Name: 1-[2-[4-(aminomethyl)naphthalen-2-yl]-5-tert-butylpyrazol-3-yl]-3-(3-cyanophenyl)urea Traditional Name: 1-[2-[4-(aminomethyl)-2-naphthyl]-5-tert-butyl-pyrazol-3-yl]-3-(3-cyanophenyl)urea Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC(=C2)C#N)C3=CC4=CC=CC=C4C(=C3)CN

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC(=C2)C#N)C3=CC4=CC=CC=C4C(=C3)CN

InChI

InChI=1S/C26H26N6O/c1-26(2,3)23-14-24(30-25(33)29-20-9-6-7-17(11-20)15-27)32(31-23)21-12-18-8-4-5-10-22(18)19(13-21)16-28/h4-14H,16,28H2,1-3H3,(H2,29,30,33)