N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carboxamide Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H37N5O3/c35-28(31-29-18-22-14-23(19-29)16-24(15-22)20-29)33-12-10-32(11-13-33)25-6-7-27(34(36)37)26(17-25)30-9-8-21-4-2-1-3-5-21/h1-7,17,22-24,30H,8-16,18-20H2,(H,31,35)