(3R)-3-azanyl-4-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]-4-oxidanylidene-butanenitrile

Systemtic Name: (3R)-3-azanyl-4-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]-4-oxidanylidene-butanenitrile Openeye Name: (3R)-3-amino-4-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-4-oxo-butanenitrile CAS Name: (3R)-3-amino-4-[4-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-piperazinyl]-4-oxobutanenitrile IUPAC Name: (3R)-3-amino-4-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-4-oxobutanenitrile Traditional Name: (3R)-3-amino-4-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazino]-4-keto-butyronitrile Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2=CC=C(C=C2)OCCCN3CCN(CC3)C(=O)C(CC#N)N

Isomeric SMILES

C1CC1C(=O)C2=CC=C(C=C2)OCCCN3CCN(CC3)C(=O)[C@@H](CC#N)N

InChI

InChI=1S/C21H28N4O3/c22-9-8-19(23)21(27)25-13-11-24(12-14-25)10-1-15-28-18-6-4-17(5-7-18)20(26)16-2-3-16/h4-7,16,19H,1-3,8,10-15,23H2/t19-/m1/s1