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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(4-methyl-1-piperazinyl)methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(4-methylpiperazino)methyl]-3-pyridyl]-1-naphthyl]urea Formula: C33H39N5O2 MolecularWeight: 537.69506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCN(CC5)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCN(CC5)C

InChI

InChI=1S/C33H39N5O2/c1-33(2,3)24-11-15-31(40-5)30(20-24)36-32(39)35-29-14-13-26(27-8-6-7-9-28(27)29)23-10-12-25(34-21-23)22-38-18-16-37(4)17-19-38/h6-15,20-21H,16-19,22H2,1-5H3,(H2,35,36,39)