4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxy-phenol

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxy-phenol Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxy-phenol CAS Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxyphenol IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxyphenol Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]-2-ethoxy-phenol Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)OC)O

InChI

InChI=1S/C25H26N2O4/c1-4-31-24-13-16(9-11-22(24)28)20-15-21(27-19-8-6-5-7-18(19)26-20)17-10-12-23(29-2)25(14-17)30-3/h5-14,20,26,28H,4,15H2,1-3H3