2-azanyl-1-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 2-azanyl-1-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-amino-1-[4-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,4-diazepan-1-yl]butan-1-one Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)N

Isomeric SMILES

CCC(C(=O)N1CCCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3CC3)N

InChI

InChI=1S/C22H33N3O3/c1-2-20(23)22(27)25-13-3-11-24(14-15-25)12-4-16-28-19-9-7-18(8-10-19)21(26)17-5-6-17/h7-10,17,20H,2-6,11-16,23H2,1H3