N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[3-(4-p-anisyl-1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C27H35N3O3/c1-33-25-13-11-21(12-14-25)20-29-15-6-16-30(18-17-29)27(32)23-9-5-10-24(19-23)28-26(31)22-7-3-2-4-8-22/h5,9-14,19,22H,2-4,6-8,15-18,20H2,1H3,(H,28,31)