N-(4-carbamimidoylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(4-amidinophenyl)-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N3O2/c1-16-2-4-17(5-3-16)19-8-11-23-21(14-19)15-20(12-13-30-23)25(29)28-22-9-6-18(7-10-22)24(26)27/h2-11,14-15H,12-13H2,1H3,(H3,26,27)(H,28,29)