N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H32N4O3/c1-32-23-11-5-20(6-12-23)18-28-13-2-14-29(16-15-28)25(31)26-17-19-3-9-22(10-4-19)27-24(30)21-7-8-21/h3-6,9-12,21H,2,7-8,13-18H2,1H3,(H,26,31)(H,27,30)/p+1