1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(S)-phenyl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C2=CC=CC=C2)N3CCCNCC3

InChI

InChI=1S/C21H28N2O3/c1-24-18-14-17(15-19(25-2)21(18)26-3)20(16-8-5-4-6-9-16)23-12-7-10-22-11-13-23/h4-6,8-9,14-15,20,22H,7,10-13H2,1-3H3/t20-/m0/s1