[4-[4-(7-methoxyheptoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-(7-methoxyheptoxy)phenyl]-3-oxidanidyl-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone Openeye Name: [4-[4-(7-methoxyheptoxy)phenyl]-3-oxido-2-piperazin-1-yl-benzotriazol-1-yl]-phenyl-methanone CAS Name: [4-[4-(7-methoxyheptoxy)phenyl]-3-oxido-2-(1-piperazinyl)-1-benzotriazolyl]-phenylmethanone IUPAC Name: [4-[4-(7-methoxyheptoxy)phenyl]-3-oxido-2-piperazin-1-ylbenzotriazol-1-yl]-phenylmethanone Traditional Name: [4-[4-(7-methoxyheptoxy)phenyl]-3-oxido-2-piperazino-benzotriazol-1-yl]-phenyl-methanone Formula: C31H38N5O4- MolecularWeight: 544.66452

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N(N3[O-])N4CCNCC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COCCCCCCCOC1=CC=C(C=C1)C2=C3C(=CC=C2)N(N(N3[O-])N4CCNCC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H38N5O4/c1-39-23-8-3-2-4-9-24-40-27-17-15-25(16-18-27)28-13-10-14-29-30(28)35(38)36(33-21-19-32-20-22-33)34(29)31(37)26-11-6-5-7-12-26/h5-7,10-18,32H,2-4,8-9,19-24H2,1H3/q-1