N-(3-nitrophenyl)-4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[(4-isopropoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[(4-propan-2-yloxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-nitrophenyl)-4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-isopropoxybenzyl)-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-16(2)29-20-8-6-17(7-9-20)15-23-10-12-24(13-11-23)21(26)22-18-4-3-5-19(14-18)25(27)28/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,26)