4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-[(2R)-3-keto-1-o-anisyl-piperazin-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCN(CC3)C=O

Isomeric SMILES

COC1=CC=CC=C1CN2CCNC(=O)[C@H]2CC(=O)N3CCCN(CC3)C=O

InChI

InChI=1S/C20H28N4O4/c1-28-18-6-3-2-5-16(18)14-24-10-7-21-20(27)17(24)13-19(26)23-9-4-8-22(15-25)11-12-23/h2-3,5-6,15,17H,4,7-14H2,1H3,(H,21,27)/t17-/m1/s1