butyl (E)-3-[4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]phenyl]-2-isocyano-prop-2-enoate

Systemtic Name: butyl (E)-3-[4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]phenyl]-2-isocyano-prop-2-enoate Openeye Name: butyl (E)-3-[4-[4-(4-hexanoylpiperazin-1-yl)phenyl]azophenyl]-2-isocyano-prop-2-enoate CAS Name: (E)-2-isocyano-3-[4-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]azophenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]diazenyl]phenyl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-[4-(4-caproylpiperazino)phenyl]azophenyl]-2-isocyano-acrylic acid butyl ester Formula: C30H37N5O3 MolecularWeight: 515.64648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C=C(C(=O)OCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)/C=C(\C(=O)OCCCC)/[N+]#[C-]

InChI

InChI=1S/C30H37N5O3/c1-4-6-8-9-29(36)35-20-18-34(19-21-35)27-16-14-26(15-17-27)33-32-25-12-10-24(11-13-25)23-28(31-3)30(37)38-22-7-5-2/h10-17,23H,4-9,18-22H2,1-2H3/b28-23+,33-32?