4-[4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[4-[3-[(2S)-2-methyl-1-pyrrolidinyl]propoxy]phenyl]-3-oxo-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxopiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[3-keto-4-[4-[3-[(2S)-2-methylpyrrolidino]propoxy]phenyl]piperazine-1-carbonyl]benzonitrile Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H]1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H30N4O3/c1-20-4-2-13-28(20)14-3-17-33-24-11-9-23(10-12-24)30-16-15-29(19-25(30)31)26(32)22-7-5-21(18-27)6-8-22/h5-12,20H,2-4,13-17,19H2,1H3/t20-/m0/s1