4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)ethenyl]-N,N-diethyl-aniline

Systemtic Name: 4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)ethenyl]-N,N-diethyl-aniline Openeye Name: 4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)vinyl]-N,N-diethyl-aniline CAS Name: 4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)ethenyl]-N,N-diethylaniline IUPAC Name: 4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)ethenyl]-N,N-diethylaniline Traditional Name: [4-[(E)-2-(2,3-diisocyano-7-phenyl-6H-1,4-diazepin-5-yl)vinyl]phenyl]-diethyl-amine Formula: C25H23N5 MolecularWeight: 393.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC2=NC(=C(N=C(C2)C3=CC=CC=C3)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC(=C(N=C(C2)C3=CC=CC=C3)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C25H23N5/c1-5-30(6-2)22-16-13-19(14-17-22)12-15-21-18-23(20-10-8-7-9-11-20)29-25(27-4)24(26-3)28-21/h7-17H,5-6,18H2,1-2H3/b15-12+