4-[2-[(3R)-3-(2-methylpiperidin-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3R)-3-(2-methylpiperidin-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3R)-3-(2-methyl-1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile CAS Name: 4-[2-[(3R)-3-(2-methyl-1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]benzonitrile IUPAC Name: 4-[2-[(3R)-3-(2-methylpiperidin-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile Traditional Name: 4-[2-[(3R)-3-(2-methylpiperidino)pyrrolidino]-1,3-benzothiazol-6-yl]benzonitrile Formula: C24H26N4S MolecularWeight: 402.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1CCCCN1[C@@H]2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H26N4S/c1-17-4-2-3-12-28(17)21-11-13-27(16-21)24-26-22-10-9-20(14-23(22)29-24)19-7-5-18(15-25)6-8-19/h5-10,14,17,21H,2-4,11-13,16H2,1H3/t17?,21-/m1/s1