2-(4-ethylphenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethylphenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethylphenyl)-7-methoxy-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-7-methoxy-5-(5-methyl-2-furanyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-7-methoxy-5-(5-methylfuran-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-ethylphenyl)-7-methoxy-5-(5-methyl-2-furyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(O4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=C(O4)C

InChI

InChI=1S/C22H21N3O2/c1-4-15-6-8-16(9-7-15)22-23-19-11-10-17(26-3)13-18(19)21(24-25-22)20-12-5-14(2)27-20/h5-13,24H,4H2,1-3H3