2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29N3O3/c1-5-18-8-14-22-23(16-18)29-27(20-11-15-24(32-6-2)25(17-20)33-7-3)30-26(28-22)19-9-12-21(31-4)13-10-19/h8-17H,5-7H2,1-4H3,(H,28,29,30)