N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-N-[(3-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(3-phenylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylbenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CN1C=CN=C1CN(CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C28H27N3O3/c1-30-14-13-29-27(30)20-31(19-21-7-5-10-23(17-21)22-8-3-2-4-9-22)28(32)24-11-12-25-26(18-24)34-16-6-15-33-25/h2-5,7-14,17-18H,6,15-16,19-20H2,1H3