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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(3-oxidanylidenepiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-[(3-oxopiperazin-1-yl)methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(3-oxo-1-piperazinyl)methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(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-ketopiperazino)methyl]-3-pyridyl]-1-naphthyl]urea Formula: C32H35N5O3 MolecularWeight: 537.652

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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)CN5CCNC(=O)C5

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)CN5CCNC(=O)C5

InChI

InChI=1S/C32H35N5O3/c1-32(2,3)22-10-14-29(40-4)28(17-22)36-31(39)35-27-13-12-24(25-7-5-6-8-26(25)27)21-9-11-23(34-18-21)19-37-16-15-33-30(38)20-37/h5-14,17-18H,15-16,19-20H2,1-4H3,(H,33,38)(H2,35,36,39)