4-[[3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[3-(1-naphthylmethyl)-4,5-dihydroisoxazole-5-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[3-(1-naphthalenylmethyl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[3-(1-naphthylmethyl)-2-isoxazoline-5-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC(=NO2)CC3=CC=CC4=CC=CC=C43)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC(=NO2)CC3=CC=CC4=CC=CC=C43)C=O

InChI

InChI=1S/C21H23N3O3/c25-15-23-9-4-10-24(12-11-23)21(26)20-14-18(22-27-20)13-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,15,20H,4,9-14H2