2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]phenol

Systemtic Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]phenol Openeye Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-nitrophenyl)thiazol-5-yl]phenol CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]-5-[2-(3-nitrophenyl)-5-thiazolyl]phenol IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]phenol Traditional Name: 2-[(4-methylpiperazino)methyl]-5-[2-(3-nitrophenyl)thiazol-5-yl]phenol Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=C(C=C2)C3=CN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=C(C=C2)C3=CN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N4O3S/c1-23-7-9-24(10-8-23)14-17-6-5-15(12-19(17)26)20-13-22-21(29-20)16-3-2-4-18(11-16)25(27)28/h2-6,11-13,26H,7-10,14H2,1H3