1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N2O2/c1-2-5-19(6-3-1)20-7-9-21(10-8-20)25(27-15-4-13-26-14-16-27)22-11-12-23-24(17-22)29-18-28-23/h1-3,5-12,17,25-26H,4,13-16,18H2