2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-(1,6-naphthyridin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-(1,6-naphthyridin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-3-(1,6-naphthyridin-2-yl)-3-oxo-propanenitrile CAS Name: 2-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-3-(1,6-naphthyridin-2-yl)-3-oxopropanenitrile IUPAC Name: 2-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-3-(1,6-naphthyridin-2-yl)-3-oxopropanenitrile Traditional Name: 2-[(2S)-4-benzoyl-2-methyl-piperazino]-3-keto-3-(1,6-naphthyridin-2-yl)propionitrile Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=O)C2=NC3=C(C=C2)C=NC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(C#N)C(=O)C2=NC3=C(C=C2)C=NC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-16-15-27(23(30)17-5-3-2-4-6-17)11-12-28(16)21(13-24)22(29)20-8-7-18-14-25-10-9-19(18)26-20/h2-10,14,16,21H,11-12,15H2,1H3/t16-,21?/m0/s1