[4-[4-(8-methoxyoctoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone Openeye Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone CAS Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-(1-piperazinyl)-1-benzotriazolyl]-phenylmethanone IUPAC Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazin-1-ylbenzotriazol-1-yl]-phenylmethanone Traditional Name: [4-[4-(8-methoxyoctoxy)phenyl]-3-oxido-2-piperazino-benzotriazol-1-yl]-phenyl-methanone Formula: C32H40N5O4- MolecularWeight: 558.6911

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N(N3[O-])N4CCNCC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N(N3[O-])N4CCNCC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H40N5O4/c1-40-24-9-4-2-3-5-10-25-41-28-18-16-26(17-19-28)29-14-11-15-30-31(29)36(39)37(34-22-20-33-21-23-34)35(30)32(38)27-12-7-6-8-13-27/h6-8,11-19,33H,2-5,9-10,20-25H2,1H3/q-1