1-[3-tert-butyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]-3-[4-(2-pyridin-4-ylethyl)naphthalen-1-yl]urea

Systemtic Name: 1-[3-tert-butyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]-3-[4-(2-pyridin-4-ylethyl)naphthalen-1-yl]urea Openeye Name: 1-[3-tert-butyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]-3-[4-[2-(4-pyridyl)ethyl]-1-naphthyl]urea CAS Name: 1-[3-tert-butyl-5-[3-(1-pyrrolidinyl)prop-1-ynyl]phenyl]-3-[4-(2-pyridin-4-ylethyl)-1-naphthalenyl]urea IUPAC Name: 1-[3-tert-butyl-5-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]-3-[4-(2-pyridin-4-ylethyl)naphthalen-1-yl]urea Traditional Name: 1-[3-tert-butyl-5-(3-pyrrolidinoprop-1-ynyl)phenyl]-3-[4-[2-(4-pyridyl)ethyl]-1-naphthyl]urea Formula: C35H38N4O MolecularWeight: 530.70242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#CCN2CCCC2)NC(=O)NC3=CC=C(C4=CC=CC=C43)CCC5=CC=NC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#CCN2CCCC2)NC(=O)NC3=CC=C(C4=CC=CC=C43)CCC5=CC=NC=C5

InChI

InChI=1S/C35H38N4O/c1-35(2,3)29-23-27(9-8-22-39-20-6-7-21-39)24-30(25-29)37-34(40)38-33-15-14-28(31-10-4-5-11-32(31)33)13-12-26-16-18-36-19-17-26/h4-5,10-11,14-19,23-25H,6-7,12-13,20-22H2,1-3H3,(H2,37,38,40)