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

Systemtic Name: 1-[4-[6-[(2-methyl-3-oxidanylidene-piperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Openeye Name: [4-[6-[(2-methyl-3-oxo-piperazin-1-yl)methyl]-3-pyridyl]-1-naphthyl]urea CAS Name: [4-[6-[(2-methyl-3-oxo-1-piperazinyl)methyl]-3-pyridinyl]-1-naphthalenyl]urea IUPAC Name: [4-[6-[(2-methyl-3-oxopiperazin-1-yl)methyl]pyridin-3-yl]naphthalen-1-yl]urea Traditional Name: [4-[6-[(3-keto-2-methyl-piperazino)methyl]-3-pyridyl]-1-naphthyl]urea Formula: C22H23N5O2 MolecularWeight: 389.45032

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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)N

Isomeric SMILES

CC1C(=O)NCCN1CC2=NC=C(C=C2)C3=CC=C(C4=CC=CC=C43)NC(=O)N

InChI

InChI=1S/C22H23N5O2/c1-14-21(28)24-10-11-27(14)13-16-7-6-15(12-25-16)17-8-9-20(26-22(23)29)19-5-3-2-4-18(17)19/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H3,23,26,29)