1-[4-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea

Systemtic Name: 1-[4-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Openeye Name: [4-[6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: [4-[6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: [4-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Traditional Name: [4-[6-[[4-(2-pyridyl)piperazino]methyl]-3-pyridyl]-1-naphthyl]urea Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)N)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)N)C5=CC=CC=N5

InChI

InChI=1S/C26H26N6O/c27-26(33)30-24-11-10-21(22-5-1-2-6-23(22)24)19-8-9-20(29-17-19)18-31-13-15-32(16-14-31)25-7-3-4-12-28-25/h1-12,17H,13-16,18H2,(H3,27,30,33)