1-(5-tert-butyl-2-methyl-phenyl)-3-[4-[6-[(2-methyl-3-oxidanylidene-piperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)-3-[4-[6-[(2-methyl-3-oxidanylidene-piperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methyl-phenyl)-3-[4-[6-[(2-methyl-3-oxo-piperazin-1-yl)methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methylphenyl)-3-[4-[6-[(2-methyl-3-oxo-1-piperazinyl)methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methylphenyl)-3-[4-[6-[(2-methyl-3-oxopiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methyl-phenyl)-3-[4-[6-[(3-keto-2-methyl-piperazino)methyl]-3-pyridyl]-1-naphthyl]urea Formula: C33H37N5O2 MolecularWeight: 535.67918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)C

Isomeric SMILES

CC1C(=O)NCCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)C

InChI

InChI=1S/C33H37N5O2/c1-21-10-12-24(33(3,4)5)18-30(21)37-32(40)36-29-15-14-26(27-8-6-7-9-28(27)29)23-11-13-25(35-19-23)20-38-17-16-34-31(39)22(38)2/h6-15,18-19,22H,16-17,20H2,1-5H3,(H,34,39)(H2,36,37,40)