ethyl 4-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidate

Systemtic Name: ethyl 4-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidate Openeye Name: ethyl 4-[4-[4-(ethoxycarbonimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidate CAS Name: 4-[4-[4-[ethoxy(imino)methyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidate Traditional Name: 4-[4-[4-(ethoxycarbonimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidic acid ethyl ester Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=N)OCC

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=N)OCC

InChI

InChI=1S/C23H30N4O2/c1-3-28-22(24)18-6-10-20(11-7-18)26-14-5-15-27(17-16-26)21-12-8-19(9-13-21)23(25)29-4-2/h6-13,24-25H,3-5,14-17H2,1-2H3