1-[6-[(3-oxidanylidenepiperazin-1-yl)methyl]naphthalen-1-yl]-1-pyridin-3-yl-urea

Systemtic Name: 1-[6-[(3-oxidanylidenepiperazin-1-yl)methyl]naphthalen-1-yl]-1-pyridin-3-yl-urea Openeye Name: 1-[6-[(3-oxopiperazin-1-yl)methyl]-1-naphthyl]-1-(3-pyridyl)urea CAS Name: 1-[6-[(3-oxo-1-piperazinyl)methyl]-1-naphthalenyl]-1-(3-pyridinyl)urea IUPAC Name: 1-[6-[(3-oxopiperazin-1-yl)methyl]naphthalen-1-yl]-1-pyridin-3-ylurea Traditional Name: 1-[6-[(3-ketopiperazino)methyl]-1-naphthyl]-1-(3-pyridyl)urea Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=CC3=C(C=C2)C(=CC=C3)N(C4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CC(=O)N1)CC2=CC3=C(C=C2)C(=CC=C3)N(C4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C21H21N5O2/c22-21(28)26(17-4-2-8-23-12-17)19-5-1-3-16-11-15(6-7-18(16)19)13-25-10-9-24-20(27)14-25/h1-8,11-12H,9-10,13-14H2,(H2,22,28)(H,24,27)