methyl (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]ethanoate

Systemtic Name: methyl (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]ethanoate Openeye Name: methyl (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]acetate CAS Name: (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]acetic acid methyl ester IUPAC Name: methyl (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]acetate Traditional Name: (2Z)-2-[7-(4-cyanophenyl)-1,4-diazepan-5-ylidene]acetic acid methyl ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CC(NCCN1)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)/C=C\1/CC(NCCN1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H17N3O2/c1-20-15(19)9-13-8-14(18-7-6-17-13)12-4-2-11(10-16)3-5-12/h2-5,9,14,17-18H,6-8H2,1H3/b13-9-