[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-thiazol-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(2-thiazolyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-thiazol-2-ylpiperazino)methanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3S/c26-19(23-10-12-24(13-11-23)20-21-7-14-29-20)16-5-6-17(18(15-16)25(27)28)22-8-3-1-2-4-9-22/h5-7,14-15H,1-4,8-13H2