1-(5-tert-butyl-2-methoxy-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-methoxy-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-methoxy-phenyl)-3-[4-[6-[(2-methyl-3-oxo-piperazin-1-yl)methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(2-methyl-3-oxo-1-piperazinyl)methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(2-methyl-3-oxopiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(3-keto-2-methyl-piperazino)methyl]-3-pyridyl]-1-naphthyl]urea Formula: C33H37N5O3 MolecularWeight: 551.67858

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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)OC

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)OC

InChI

InChI=1S/C33H37N5O3/c1-21-31(39)34-16-17-38(21)20-24-12-10-22(19-35-24)25-13-14-28(27-9-7-6-8-26(25)27)36-32(40)37-29-18-23(33(2,3)4)11-15-30(29)41-5/h6-15,18-19,21H,16-17,20H2,1-5H3,(H,34,39)(H2,36,37,40)