1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride

Systemtic Name: 1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride Openeye Name: 1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-nitrophenyl)-1-(3-pyridylmethyl)urea dihydrochloride CAS Name: 1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-nitrophenyl)-1-(3-pyridinylmethyl)urea dihydrochloride IUPAC Name: 1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea dihydrochloride Traditional Name: 1-[4-[4-[(cyclohexylamino)methyl]phenyl]benzyl]-3-(4-nitrophenyl)-1-(3-pyridylmethyl)urea dihydrochloride Formula: C33H37Cl2N5O3 MolecularWeight: 622.58458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=CC=C(C=C2)C3=CC=C(C=C3)CN(CC4=CN=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCC(CC1)NCC2=CC=C(C=C2)C3=CC=C(C=C3)CN(CC4=CN=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C33H35N5O3.2ClH/c39-33(36-31-16-18-32(19-17-31)38(40)41)37(24-27-5-4-20-34-21-27)23-26-10-14-29(15-11-26)28-12-8-25(9-13-28)22-35-30-6-2-1-3-7-30;;/h4-5,8-21,30,35H,1-3,6-7,22-24H2,(H,36,39);2*1H